Basic information
- Standard SMILES
COC(CCCCl)=NC#N- InChIKey
SICMUJQQCOQINN-UHFFFAOYSA-N- Molecular formula
- C6H9ClN2O
- Average molar mass
- 160.6 g/mol
- Monoisotopic mass
- 160.0403406
Names & identifiers
- Preferred name
- methyl N-cyano-4-chlorobutyrimidate
- IUPAC
- methyl 4-chloro-N-cyanobutanimidate
Names & synonyms
SCHEMBL9200562SCHEMBL9200566SICMUJQQCOQINN-UHFFFAOYSA-Nmethyl N-cyano-4-chlorobutyrimidateAKOS006374824
Database identifiers
- PubChem CID
- 15734837
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 45.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 158
Related reactions
2 records
Compound notes
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