2-Chloro-1-propyl-1H-indole-3-carboxylic acid
Basic information
- CAS
66335-20-4- Standard SMILES
CCCn1c(Cl)c(C(=O)O)c2ccccc21- InChIKey
GOGWUERLRFCCPP-UHFFFAOYSA-N- Molecular formula
- C12H12ClNO2
- Average molar mass
- 237.68 g/mol
- Monoisotopic mass
- 237.0556563
Names & identifiers
- Preferred name
- 2-Chloro-1-propyl-1H-indole-3-carboxylic acid
- IUPAC
- 2-chloro-1-propylindole-3-carboxylic acid
Names & synonyms
66335-20-4NSC2864532-Chloro-1-propyl-1H-indole-3-carboxylic acidDTXSID60314615NSC-286453DS-0131032-Chloro-1-propyl-indole-3-carboxylic acid
Database identifiers
- CAS
66335-20-4- PubChem CID
- 323743
- DTXSID
DTXSID60314615
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 42.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 272
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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