methyl 2-{[(E)-(5-chloro-2-hydroxyphenyl)methylidene]amino}benzoate
Basic information
- CAS
65553-39-1- Standard SMILES
COC(=O)c1ccccc1N=Cc1cc(Cl)ccc1O- InChIKey
URJYPMDUSRVBJY-UHFFFAOYSA-N- Molecular formula
- C15H12ClNO3
- Average molar mass
- 289.71 g/mol
- Monoisotopic mass
- 289.0505709
Names & identifiers
- Preferred name
- methyl 2-{[(E)-(5-chloro-2-hydroxyphenyl)methylidene]amino}benzoate
- IUPAC
- methyl 2-[(5-chloro-2-hydroxyphenyl)methylideneamino]benzoate
Names & synonyms
65553-39-1AC1NYQCHNSC155256DTXSID50421105methyl 2-{[(E)-(5-chloro-2-hydroxyphenyl)methylidene]amino}benzoateSTK878834AKOS005636504NSC-155256Methyl 2-{[(E)-(3-chloro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino}benzoate
Database identifiers
- CAS
65553-39-1- PubChem CID
- 290841
- DTXSID
DTXSID50421105
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 361
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Related reactions
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Compound notes
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