Basic information
- CAS
1218951-01-9- Standard SMILES
COC(=O)C(C#N)c1ccccc1Cl- InChIKey
BSKRTOCOQBTIBV-UHFFFAOYSA-N- Molecular formula
- C10H8ClNO2
- Average molar mass
- 209.63 g/mol
- Monoisotopic mass
- 209.0243562
Names & identifiers
- Preferred name
- Methyl 2-(2-chlorophenyl)-2-cyanoacetate
- IUPAC
- methyl 2-(2-chlorophenyl)-2-cyanoacetate
Names & synonyms
1218951-01-9methyl 2-(2-chlorophenyl)-2-cyanoacetatemethyl2-(2-chlorophenyl)-2-cyanoacetateSCHEMBL17465785MFCD19316632AKOS017551494Methyl 2-chloro-alpha-cyanobenzeneacetateEN300-209468
Database identifiers
- CAS
1218951-01-9- PubChem CID
- 79017367
- EC Number
- 880-262-8
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 258
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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