18-Bromooctadecanoic acid - ≥98% , CAS No.2536-38-1

CAS: 2536-38-1 Cat. No.: B303228 분자식: C₁₈H₃₅BrO₂ 분자량: 363.373

등급 & 순도 ≥98%

Synonyms

18-bromooctadecanoic acid|18-bromo-octadecanoic acid|2536-38-1|Octadecanoic acid, 18-bromo-|LMFA01090014|18-bromooctadecanoicacid|SCHEMBL3121266|DTXSID10415621|CHEBI:187760|AMY37963|MFCD22055894|BS-46578|SY287115|E83930

Storage

Store at 2-8°C

Shipped In

Wet ice

사양

동의어

18-bromooctadecanoic acid | 18-bromo-octadecanoic acid | 2536-38-1 | Octadecanoic acid, 18-bromo- | LMFA01090014 | 18-bromooctadecanoicacid | SCHEMBL3121266 | DTXSID10415621 | CHEBI:187760 | AMY37963 | MFCD22055894 | BS-46578 | SY287115 | E83930

사양 및 순도

≥98%

보관 조건

Store at 2-8°C

배송

Wet ice

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순수함

≥98%

이름과 식별자

정식 스마일

C(CCCCCCCCC(=O)O)CCCCCCCCBr

IUPAC Name

18-bromooctadecanoic acid

InChIKey

BSDAIZFMQYOAFY-UHFFFAOYSA-N

INCHI

1S/C18H35BrO2/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h1-17H2,(H,20,21)

이성체 SMILES

C(CCCCCCCCC(=O)O)CCCCCCCCBr

분자량

363.373

Reaxy-Rn

1789814

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1789814&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 분류 Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Long-chain fatty acids
• Alternative Parents: Halogenated fatty acids Straight chain fatty acids Monocarboxylic acids and derivatives Carboxylic acids Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Long-chain fatty acid - Halogenated fatty acid - Straight chain fatty acid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organohalogen compound - Alkyl halide - Organic oxide - Organic oxygen compound - Alkyl bromide - Carbonyl group - Organobromide - Organooxygen compound - Hydrocarbon derivative - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms.
• External Descriptors: Halogenated fatty acids

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

화학 및 물리적 특성

• 녹는점(°C): 75.5℃
• 분자량: 363.400 g/mol
• XLogP3: 6.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 17
• Exact Mass: 362.182 Da
• Monoisotopic Mass: 362.182 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 219.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1