2-[(3-Bromo-benzylidene)-amino]-5-chloro-benzoic acid methyl ester

HCID 67442575

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

Related reactions

10 records

Linked notes

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