1-Boc-3-bromoindole - ≥95% , CAS No.143259-56-7

CAS: 143259-56-7 Cat. No.: B181485 Formula: C₁₃H₁₄BrNO₂ Peso molecolare: 296.16 Numero EC: 674-763-9

GRADE & PURITY ≥95%

Synonyms

FT-0630095 | J-007783 | tert-butyl3-bromo-1h-indole-1-carboxylate | DTXSID10602357 | MFCD05864772 | tert-butyl 3-bromoindole-1-carboxylate | DMNYMGSBBRRGOW-UHFFFAOYSA-N | 3-Bromo-indole-1-carboxylic acid tert-Butyl ester | 3-bromoindole-1-carboxylic acid

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinonimi

FT-0630095 | J-007783 | tert-butyl3-bromo-1h-indole-1-carboxylate | DTXSID10602357 | MFCD05864772 | tert-butyl 3-bromoindole-1-carboxylate | DMNYMGSBBRRGOW-UHFFFAOYSA-N | 3-Bromo-indole-1-carboxylic acid tert-Butyl ester | 3-bromoindole-1-carboxylic acid

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥95%

Nomi e identificatori

Sorrisi canonici

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)Br

IUPAC Name

tert-butyl 3-bromoindole-1-carboxylate

InChIKey

DMNYMGSBBRRGOW-UHFFFAOYSA-N

INCHI

1S/C13H14BrNO2/c1-13(2,3)17-12(16)15-8-10(14)9-6-4-5-7-11(9)15/h4-8H,1-3H3

Isomeri SMILES

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)Br

Peso molecolare

296.16

Reaxy-Rn

13860750

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13860750&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Indoles and derivatives
      • Subclass Indolecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: Indolecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Indolecarboxylic acids
• Alternative Parents: Indoles Pyrrole carboxylic acids and derivatives Substituted pyrroles Benzenoids Aryl bromides Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indolecarboxylic acid - Indole - Pyrrole-1-carboxylic acid or derivatives - Benzenoid - Substituted pyrrole - Aryl halide - Aryl bromide - Heteroaromatic compound - Pyrrole - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as indolecarboxylic acids. These are compounds containing a carboxylic acid group linked to an indole.
• External Descriptors: Not available

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

Proprietà chimiche e fisiche

• Sensibilità: Moisture sensitive
• Peso molecolare: 296.160 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 295.021 Da
• Monoisotopic Mass: 295.021 Da
• Topological Polar Surface Area: 31.200 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 300.000
• 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