2-((m-Chlorophenyl)azo)-3-oxobutyric acid ethyl ester
Basic information
- CAS
5869-59-0- Standard SMILES
CCOC(=O)C(N=Nc1cccc(Cl)c1)C(C)=O- InChIKey
GMRPNOZSFQVVCC-UHFFFAOYSA-N- Molecular formula
- C12H13ClN2O3
- Average molar mass
- 268.69 g/mol
- Monoisotopic mass
- 268.06147
Names & identifiers
- Preferred name
- 2-((m-Chlorophenyl)azo)-3-oxobutyric acid ethyl ester
- IUPAC
- ethyl 2-[(3-chlorophenyl)diazenyl]-3-oxobutanoate
Names & synonyms
BRN 44854432-((m-Chlorophenyl)azo)-3-oxobutyric acid ethyl ester3-Chlor-phenyl-azo-acetessigester [German]5869-59-03-Chlor-phenyl-azo-acetessigesterButanoic acid, 2-((3-chlorophenyl)azo)-3-oxo-, ethyl esterACETOACETIC ACID, 2-((m-CHLOROPHENYL)AZO)-, ETHYL ESTER
Database identifiers
- CAS
5869-59-0- PubChem CID
- 22160
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 68.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 333
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Compound notes
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