Basic information
- Standard SMILES
COC(=O)c1ccc(Cl)c(C#N)c1- InChIKey
RYYMSFBYYAYGOX-UHFFFAOYSA-N- Molecular formula
- C9H6ClNO2
- Average molar mass
- 195.6 g/mol
Names & identifiers
- Preferred name
- Methyl 4-chloro-3-cyanobenzoate
- IUPAC
- methyl 4-chloro-3-cyanobenzoate
Names & synonyms
Methyl 4-chloro-3-cyanobenzoate181282-80-4Benzoic acid, 4-chloro-3-cyano-, methyl esterMFCD18398898methyl 4-chloro-3-cyano-benzoatemethyl4-chloro-3-cyanobenzoateSCHEMBL6866955RYYMSFBYYAYGOX-UHFFFAOYSA-NAKOS022189771AS-66487DA-43470SY243157
Show more names
CS-0098674F454152
Database identifiers
- PubChem CID
- 22644672
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 245
Related reactions
3 records
Compound notes
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