Basic information
- CAS
69789-87-3- Standard SMILES
Cc1cc2[nH]c(Cl)c(C=O)c2cc1O- InChIKey
ZXARCVZNIONYBA-UHFFFAOYSA-N- Molecular formula
- C10H8ClNO2
- Average molar mass
- 209.63 g/mol
- Monoisotopic mass
- 209.0243562
Names & identifiers
- Preferred name
- 1H-Indole-3-carboxaldehyde, 2-chloro-5-hydroxy-6-methyl-
- IUPAC
- 2-chloro-5-hydroxy-6-methyl-1H-indole-3-carbaldehyde
Names & synonyms
UNII-QXO4CS45TL69789-87-3NSC-286449QXO4CS45TL1H-Indole-3-carboxaldehyde, 2-chloro-5-hydroxy-6-methyl-2-chloro-5-hydroxy-6-methyl-1H-indole-3-carbaldehyde2-chloro-5-hydroxy-6-methyl-1H-indole-3-carboxaldehydeNSC286449SCHEMBL29958271DTXSID80314612Q27287552
Database identifiers
- CAS
69789-87-3- PubChem CID
- 323740
- DTXSID
DTXSID80314612- UNII
- QXO4CS45TL
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 236
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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