Basic information
- CAS
53924-08-6- Standard SMILES
O=C(O)c1[nH]c2ccc(Cl)cc2c1C(c1ccccc1)c1ccccc1- InChIKey
HUHIALYJJLCTRP-UHFFFAOYSA-N- Molecular formula
- C22H16ClNO2
- Average molar mass
- 361.8 g/mol
- Monoisotopic mass
- 361.0869564
Names & identifiers
- Preferred name
- 1H-Indole-2-carboxylic acid, 5-chloro-3-(diphenylmethyl)-
- IUPAC
- 3-benzhydryl-5-chloro-1H-indole-2-carboxylic acid
Names & synonyms
BRN 044126453924-08-61H-INDOLE-2-CARBOXYLIC ACID, 5-CHLORO-3-(DIPHENYLMETHYL)-5-Chloro-3-(diphenylmethyl)-1H-indole-2-carboxylic acidDTXSID402022085-22-03-00548 (Beilstein Handbook Reference)RefChem:238983DTXCID00124699
Database identifiers
- CAS
53924-08-6- PubChem CID
- 40927
- DTXSID
DTXSID40202208
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 469
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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