2-Chloro-1-phenyl-1H-indole-3-carboxylic acid
Basic information
- CAS
54778-22-2- Standard SMILES
O=C(O)c1c(Cl)n(-c2ccccc2)c2ccccc12- InChIKey
FWZUBSMPPRSUSD-UHFFFAOYSA-N- Molecular formula
- C15H10ClNO2
- Average molar mass
- 271.7 g/mol
- Monoisotopic mass
- 271.0400063
Names & identifiers
- Preferred name
- 2-Chloro-1-phenyl-1H-indole-3-carboxylic acid
- IUPAC
- 2-chloro-1-phenylindole-3-carboxylic acid
Names & synonyms
2-Chloro-1-phenyl-1H-indole-3-carboxylic acid54778-22-21H-Indole-3-carboxylic acid, 2-chloro-1-phenyl-1-Phenyl-2-chloroindole-3-carboxylic acidBRN 0481979NSC234528SCHEMBL1144414CHEMBL3277792DTXSID70203248FWZUBSMPPRSUSD-UHFFFAOYSA-NAKOS004909168NSC 234528
Show more names
NSC-234528DA-26684
Database identifiers
- CAS
54778-22-2- PubChem CID
- 99524
- DTXSID
DTXSID70203248- ChEMBL
CHEMBL3277792
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 42.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 343
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Related reactions
2 records
Compound notes
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