Basic information
- Standard SMILES
CCOC(=O)c1cc(CN)ccc1Cl- InChIKey
WWPYCCFQICYTEN-UHFFFAOYSA-N- Molecular formula
- C10H12ClNO2
- Average molar mass
- 213.66 g/mol
Names & identifiers
- Preferred name
- Ethyl 5-(aminomethyl)-2-chlorobenzoate
- IUPAC
- ethyl 5-(aminomethyl)-2-chlorobenzoate
Names & synonyms
ethyl 5-(aminomethyl)-2-chlorobenzoate1251195-15-9SCHEMBL1671454WWPYCCFQICYTEN-UHFFFAOYSA-N5-Aminomethyl-2-chloro-benzoic acid ethyl esterEN300-6508183
Database identifiers
- PubChem CID
- 53418808
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 199
Related reactions
1 records
Compound notes
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