2-Chloro-1-ethyl-1H-indole-3,7-dicarboxylic acid
Basic information
- CAS
66335-15-7- Standard SMILES
CCn1c(Cl)c(C(=O)O)c2cccc(C(=O)O)c21- InChIKey
WMOVPIIEMLINPW-UHFFFAOYSA-N- Molecular formula
- C12H10ClNO4
- Average molar mass
- 267.66 g/mol
- Monoisotopic mass
- 267.0298355
Names & identifiers
- Preferred name
- 2-Chloro-1-ethyl-1H-indole-3,7-dicarboxylic acid
- IUPAC
- 2-chloro-1-ethylindole-3,7-dicarboxylic acid
Names & synonyms
66335-15-7NSC2864552-Chloro-1-ethyl-1H-indole-3,7-dicarboxylic acidDTXSID20330619NSC-286455DS-0039862-Chloro-1-ethyl-indole-3,7-dicarboxylic acid
Database identifiers
- CAS
66335-15-7- PubChem CID
- 430971
- DTXSID
DTXSID20330619
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 79.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…