Basic information
- CAS
91532-69-3- Standard SMILES
COC(=O)C(Cl)CNc1ccccc1- InChIKey
NEKAYNJGRATJTP-UHFFFAOYSA-N- Molecular formula
- C10H12ClNO2
- Average molar mass
- 213.66 g/mol
- Monoisotopic mass
- 213.0556563
Names & identifiers
- Preferred name
- Methyl 3-anilino-2-chloropropanoate
- IUPAC
- methyl 3-anilino-2-chloropropanoate
Names & synonyms
Methyl 3-anilino-2-chloropropanoate91532-69-3DTXSID60533187
Database identifiers
- CAS
91532-69-3- PubChem CID
- 13266641
- DTXSID
DTXSID60533187
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 181
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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