Basic information
- CAS
835595-00-1- Standard SMILES
COc1ccc(C(=O)O)cc1-c1cc2cc(Cl)c(Cl)cc2[nH]1- InChIKey
IJARKOUSWLDHFQ-UHFFFAOYSA-N- Molecular formula
- C16H11Cl2NO3
- Average molar mass
- 336.2 g/mol
- Monoisotopic mass
- 335.0115986
Names & identifiers
- Preferred name
- 3-(5,6-dichloro-1H-indol-2-yl)-4-methoxyBenzoic acid
- IUPAC
- 3-(5,6-dichloro-1H-indol-2-yl)-4-methoxybenzoic acid
Names & synonyms
3-(5,6-dichloro-1H-indol-2-yl)-4-methoxyBenzoic acid835595-00-1SCHEMBL5787645DTXSID70463168Benzoic acid, 3-(5,6-dichloro-1H-indol-2-yl)-4-methoxy-DA-25097
Database identifiers
- CAS
835595-00-1- PubChem CID
- 11348263
- DTXSID
DTXSID70463168
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 62.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 422
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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