Basic information
- Standard SMILES
COC(=O)c1ccccc1NC(=O)Cl- InChIKey
KSYLYAVGHMJQIF-UHFFFAOYSA-N- Molecular formula
- C9H8ClNO3
- Average molar mass
- 213.62 g/mol
- Monoisotopic mass
- 213.0192708
Names & identifiers
- Preferred name
- Methyl 2-[(chlorocarbonyl)amino]benzoate
- IUPAC
- methyl 2-(carbonochloridoylamino)benzoate
Names & synonyms
SCHEMBL7401969KSYLYAVGHMJQIF-UHFFFAOYSA-NMethyl 2-[(chlorocarbonyl)amino]benzoate
Database identifiers
- PubChem CID
- 21821749
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 232
Related reactions
2 records
Compound notes
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