Halogenated fatty acids

Description:

Fatty acids with a chain that carries a halogen atom (Cl,F,I,Br).

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  1. (R)-2-Bromo-4-methylpentanoic acid
    CAS: 42990-28-3 PubChem CID: 12697060 Formula: C6H11BrO2 Molecular Weight: 195.05
    Out of Stock Item #: B770490
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    Technical Identifiers
    IUPAC Name
    (2R)-2-bromo-4-methylpentanoic acid
    SMILES
    CC(C)CC(C(=O)O)Br
    InChIKey
    NNFDHJQLIFECSR-RXMQYKEDSA-N
    InChI
    1S/C6H11BrO2/c1-4(2)3-5(7)6(8)9/h4-5H,3H2,1-2H3,(H,8,9)/t5-/m1/s1
  2. 2,4-Dibromobutanoic acid
    CAS: 63164-16-9 PubChem CID: 12940601 Formula: C4H6Br2O2 Molecular Weight: 245.9
    Out of Stock Item #: D727203
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    Technical Identifiers
    IUPAC Name
    2,4-dibromobutanoic acid
    SMILES
    C(CBr)C(C(=O)O)Br
    InChIKey
    OFBPRWUYMOUQML-UHFFFAOYSA-N
    InChI
    1S/C4H6Br2O2/c5-2-1-3(6)4(7)8/h3H,1-2H2,(H,7,8)
  3. 4,4,4-Trifluoro-3-hydroxy-3-methylbutanoic acid
    CAS: 338-03-4 Formula: C5H7F3O3 Molecular Weight: 172.10
    Out of Stock Item #: T695713
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    Technical Identifiers
    IUPAC Name
    4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid
    SMILES
    CC(CC(=O)O)(C(F)(F)F)O
    InChIKey
    JCJGOWYCFRASTM-UHFFFAOYSA-N
    InChI
    1S/C5H7F3O3/c1-4(11,2-3(9)10)5(6,7)8/h11H,2H2,1H3,(H,9,10)
  4. 2,3-Dibromobutyric acid
    CAS: 600-30-6 EC Number: 209-992-1 PubChem CID: 95386
    Out of Stock Item #: D695191
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    Technical Identifiers
    IUPAC Name
    2,3-dibromobutanoic acid
    SMILES
    CC(C(C(=O)O)Br)Br
    InChIKey
    HESQKTULJLBDRF-UHFFFAOYSA-N
    InChI
    1S/C4H6Br2O2/c1-2(5)3(6)4(7)8/h2-3H,1H3,(H,7,8)
  5. 2-Bromo-4-Phenylbutyric Acid
    CAS: 16503-46-1 Formula: C10H11O2Br Molecular Weight: 243.10
    Liquid ≥95%
    Out of Stock Item #: B694912
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    Technical Identifiers
    IUPAC Name
    2-bromo-4-phenylbutanoic acid
    SMILES
    C1=CC=C(C=C1)CCC(C(=O)O)Br
    InChIKey
    DJQJKQPODCNTSE-UHFFFAOYSA-N
    InChI
    1S/C10H11BrO2/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)
    Synonyms
    2-Bromo-4-phenylbutanoic acid | α-Bromobenzenebutanoic acid
  6. 4,4,4-Trifluoro-3-hydroxy-3-(trifluoromethyl)butanoic acid
    CAS: 1547-36-0 EC Number: 670-368-0 PubChem CID: 15244 Formula: C5H4F6O3 Molecular Weight: 226.08
    Solid ≥97%
    Out of Stock Item #: B693583
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    Technical Identifiers
    IUPAC Name
    4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoic acid
    SMILES
    C(C(=O)O)C(C(F)(F)F)(C(F)(F)F)O
    InChIKey
    NOHJBOWARMTILE-UHFFFAOYSA-N
    InChI
    1S/C5H4F6O3/c6-4(7,8)3(14,1-2(12)13)5(9,10)11/h14H,1H2,(H,12,13)
  7. 2-Methyl-4,4,4-trifluorobutyricacid
    CAS: 99783-23-0 PubChem CID: 2775536 Formula: C5H7F3O2 Molecular Weight: 156.11
    Out of Stock Item #: M700840
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    Technical Identifiers
    IUPAC Name
    4,4,4-trifluoro-2-methylbutanoic acid
    SMILES
    CC(CC(F)(F)F)C(=O)O
    InChIKey
    OBUKEMPWKGDRJV-UHFFFAOYSA-N
    InChI
    1S/C5H7F3O2/c1-3(4(9)10)2-5(6,7)8/h3H,2H2,1H3,(H,9,10)
  8. 2-Chloro-4-methylpentanoic acid
    CAS: 29671-29-2 EC Number: 858-304-1 Formula: C6H11ClO2 Molecular Weight: 150.60
    Out of Stock Item #: C696119
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    Technical Identifiers
    IUPAC Name
    2-chloro-4-methylpentanoic acid
    SMILES
    CC(C)CC(C(=O)O)Cl
    InChIKey
    CBQBIPRPIHIKPW-UHFFFAOYSA-N
    InChI
    1S/C6H11ClO2/c1-4(2)3-5(7)6(8)9/h4-5H,3H2,1-2H3,(H,8,9)
  9. 2-Chloro-3-methylbutanoicacid
    CAS: 921-08-4 EC Number: 816-634-3 PubChem CID: 313493
    Out of Stock Item #: C697336
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    Technical Identifiers
    IUPAC Name
    2-chloro-3-methylbutanoic acid
    SMILES
    CC(C)C(C(=O)O)Cl
    InChIKey
    DDTJFSPKEIAZAM-UHFFFAOYSA-N
    InChI
    1S/C5H9ClO2/c1-3(2)4(6)5(7)8/h3-4H,1-2H3,(H,7,8)
  10. (S)-2-Bromo-4-methylpentanoic acid
    CAS: 28659-87-2 Formula: C6H11BrO2 Molecular Weight: 195.05
    Out of Stock Item #: B692633
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    Technical Identifiers
    IUPAC Name
    (2S)-2-bromo-4-methylpentanoic acid
    SMILES
    CC(C)CC(C(=O)O)Br
    InChIKey
    NNFDHJQLIFECSR-YFKPBYRVSA-N
    InChI
    1S/C6H11BrO2/c1-4(2)3-5(7)6(8)9/h4-5H,3H2,1-2H3,(H,8,9)/t5-/m0/s1
  11. (R)-4,4,4-Trifluoro-3-hydroxybutanoic Acid
    CAS: 108211-36-5 PubChem CID: 2779071 Formula: C4H5F3O3 Molecular Weight: 158.07
    Out of Stock Item #: T701038
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    Technical Identifiers
    IUPAC Name
    (3R)-4,4,4-trifluoro-3-hydroxybutanoic acid
    SMILES
    C(C(C(F)(F)F)O)C(=O)O
    InChIKey
    ASQMUMZEQLWJRC-UWTATZPHSA-N
    InChI
    1S/C4H5F3O3/c5-4(6,7)2(8)1-3(9)10/h2,8H,1H2,(H,9,10)/t2-/m1/s1
  12. cis-2-iodocyclopropanecarboxylic acid
    CAS: 122676-92-0 PubChem CID: 75530421 Formula: C4H5IO2 Molecular Weight: 211.99
    Out of Stock Item #: C678941
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    Technical Identifiers
    IUPAC Name
    (1S,2S)-2-iodocyclopropane-1-carboxylic acid
    SMILES
    C1C(C1I)C(=O)O
    InChIKey
    JLDDIEQQVGNSGM-GBXIJSLDSA-N
    InChI
    1S/C4H5IO2/c5-3-1-2(3)4(6)7/h2-3H,1H2,(H,6,7)/t2-,3+/m1/s1
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