Basic information
- CAS
102423-20-1- Standard SMILES
COC(=NC#N)c1ccc(Cl)cc1- InChIKey
NLJFJAWIYCJIBQ-UHFFFAOYSA-N- Molecular formula
- C9H7ClN2O
- Average molar mass
- 194.62 g/mol
- Monoisotopic mass
- 194.0246905
Names & identifiers
- Preferred name
- Methyl 4-chloro-N-cyanobenzene-1-carboximidate
- IUPAC
- methyl 4-chloro-N-cyanobenzenecarboximidate
Names & synonyms
102423-20-1Benzenecarboximidic acid, 4-chloro-N-cyano-, methyl esterMethyl 4-chloro-N-cyanobenzene-1-carboximidateDTXSID60545669
Database identifiers
- CAS
102423-20-1- PubChem CID
- 13640536
- DTXSID
DTXSID60545669- Nikkaji
- J2.805.700H
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 45.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 235
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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