Ethyl 2-[(4-bromo-3-methylphenyl)diazenyl]-3-oxobutanoate

HCID 341963

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Basic information

CAS: 83406-89-7
Standard SMILES: CCOC(=O)C(N=Nc1ccc(Br)c(C)c1)C(C)=O
InChIKey: MRGKSZSPFMDFKI-UHFFFAOYSA-N
Molecular formula: C13H15BrN2O3
Average molar mass: 327.17 g/mol
Monoisotopic mass: 326.0266

Names & identifiers

Preferred name: Ethyl 2-[(4-bromo-3-methylphenyl)diazenyl]-3-oxobutanoate
IUPAC: ethyl 2-[(4-bromo-3-methylphenyl)diazenyl]-3-oxobutanoate

Names & synonyms

83406-89-7ethyl 2-[(4-bromo-3-methylphenyl)diazenyl]-3-oxobutanoateNSC376686DTXSID30321472NSC-376686Ethyl 2-[(E)-(4-bromo-3-methylphenyl)diazenyl]-3-oxobutanoate

Database identifiers

CAS: 83406-89-7
PubChem CID: 341963
DTXSID: DTXSID30321472

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 68.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 6
Heavy atoms: 19
Formal charge: 0
Complexity: 360

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