Basic information
- Standard SMILES
Cc1c(CN)ccc(Cl)c1C(=O)O.Cc1ccc(CN)c(Cl)c1C(=O)O- InChIKey
HMOZERMGFHUWQS-UHFFFAOYSA-N- Molecular formula
- C18H20Cl2N2O4
- Average molar mass
- 399.3 g/mol
Names & identifiers
- Preferred name
- 3-Aminomethyl-2-chloro-6-methylbenzoic acid 3-aminomethyl-2-methyl-6-chlorobenzoic acid
- IUPAC
- 3-(aminomethyl)-2-chloro-6-methylbenzoic acid;3-(aminomethyl)-6-chloro-2-methylbenzoic acid
Names & synonyms
HMOZERMGFHUWQS-UHFFFAOYSA-N3-aminomethyl-2-chloro-6-methylbenzoic acid 3-aminomethyl-2-methyl-6-chlorobenzoic acid
Database identifiers
- PubChem CID
- 86658675
Properties
Computed structural properties
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 396
Related reactions
1 records
Compound notes
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