2-(4-chloro-2-methyl-1H-indol-3-yl)acetic acid
Basic information
- CAS
6127-20-4- Standard SMILES
Cc1[nH]c2cccc(Cl)c2c1CC(=O)O- InChIKey
DVYFYPAMPUDXFH-UHFFFAOYSA-N- Molecular formula
- C11H10ClNO2
- Average molar mass
- 223.65 g/mol
- Monoisotopic mass
- 223.0400063
Overview
(4-chloro-2-methyl-1H-indol-3-yl)acetic acid has been reported in Vicia faba with data available.
Names & identifiers
- Preferred name
- 2-(4-chloro-2-methyl-1H-indol-3-yl)acetic acid
- IUPAC
- 2-(4-chloro-2-methyl-1H-indol-3-yl)acetic acid
- English name
- 2-(4-Chloro-2-Methyl-1H-indol-3-yl)acetic acid
- Molecular formula
- C11H10ClNO2
- Molecular weight
- 223.66
Names & synonyms
2-(4-chloro-2-methyl-1H-indol-3-yl)acetic acid6127-20-4Indole-3-acetic acid, 4-chloro-2-methyl-DTXSID901272617methyl 4-chloroindole-3-acetic acid4-Chloro-2-methyl-1H-indole-3-acetic acid2-(4-chloro-2-methyl-1H-indol-3-yl)aceticacid(4-CHLORO-2-METHYL-1H-INDOL-3-YL)ACETIC ACIDDVYFYPAMPUDXFH-UHFFFAOYSA-N1H-Indole-3-acetic acid, 4-chloro-2-methyl-
Database identifiers
- CAS
6127-20-4- PubChem CID
- 521964
- DTXSID
DTXSID901272617
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 259
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Compound notes
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