Basic information
- Standard SMILES
COC(=O)c1cc(Cl)ccc1N=Cc1cccc(Br)c1- InChIKey
KPHTVMLIVVZXPD-UHFFFAOYSA-N- Molecular formula
- C15H11BrClNO2
- Average molar mass
- 352.61 g/mol
- Monoisotopic mass
- 350.96617
Names & identifiers
- Preferred name
- 2-[(3-Bromo-benzylidene)-amino]-5-chloro-benzoic acid methyl ester
- IUPAC
- methyl 2-[(3-bromophenyl)methylideneamino]-5-chlorobenzoate
Names & synonyms
SCHEMBL2535070SCHEMBL2535072KPHTVMLIVVZXPD-UHFFFAOYSA-N2-[(3-bromo-benzylidene)-amino]-5-chloro-benzoic acid methyl ester2-{[1-(3-bromo-phenyl)-methylidene]-amino}-5-chloro-benzoic acid methyl ester
Database identifiers
- PubChem CID
- 67442575
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 364
Related reactions
10 records
Linked notes
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