3-(Carboxymethyl)-4,6-dichloro-1H-indole-2-carboxylic acid
Basic information
- CAS
147436-76-8- Standard SMILES
O=C(O)Cc1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12- InChIKey
GXJZWNPIQFHATE-UHFFFAOYSA-N- Molecular formula
- C11H7Cl2NO4
- Average molar mass
- 288.08 g/mol
- Monoisotopic mass
- 286.9752131
Names & identifiers
- Preferred name
- 3-(Carboxymethyl)-4,6-dichloro-1H-indole-2-carboxylic acid
- IUPAC
- 3-(carboxymethyl)-4,6-dichloro-1H-indole-2-carboxylic acid
Names & synonyms
147436-76-83-(Carboxymethyl)-4,6-dichloro-1H-indole-2-carboxylic acidCHEMBL303080DTXSID60658248BDBM501290803-Carboxymethyl-4,6-dichloro-1H-indole-2-carboxylic acid
Database identifiers
- CAS
147436-76-8- PubChem CID
- 44305035
- DTXSID
DTXSID60658248- ChEMBL
CHEMBL303080- Nikkaji
- J2.013.286H
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 90.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 365
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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