1H-Indole-2-carboxylic acid, 4,6-dichloro-3-formyl-, methyl ester
Basic information
- CAS
144989-29-7- Standard SMILES
COC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1C=O- InChIKey
UKZPXXPCFMZWLJ-UHFFFAOYSA-N- Molecular formula
- C11H7Cl2NO3
- Average molar mass
- 272.08 g/mol
- Monoisotopic mass
- 270.9802985
Names & identifiers
- Preferred name
- 1H-Indole-2-carboxylic acid, 4,6-dichloro-3-formyl-, methyl ester
- IUPAC
- methyl 4,6-dichloro-3-formyl-1H-indole-2-carboxylate
Names & synonyms
DTXSID1011689851H-Indole-2-carboxylic acid, 4,6-dichloro-3-formyl-, methyl ester144989-29-7Methyl 4,6-dichloro-3-formyl-1H-indole-2-carboxylate
Database identifiers
- CAS
144989-29-7- PubChem CID
- 20658779
- DTXSID
DTXSID101168985
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 59.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 326
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Compound notes
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