Benzoic acid, p-((p-(benzoyloxymethylamino)phenyl)azo)-, methyl ester

HCID 41665

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Basic information

CAS: 55936-75-9
Standard SMILES: COC(=O)c1ccc(N=Nc2ccc(N(C)OC(=O)c3ccccc3)cc2)cc1
InChIKey: FTCIRMGHCHMDJG-UHFFFAOYSA-N
Molecular formula: C22H19N3O4
Average molar mass: 389.4 g/mol
Monoisotopic mass: 389.1375561

Names & identifiers

Preferred name: Benzoic acid, p-((p-(benzoyloxymethylamino)phenyl)azo)-, methyl ester
IUPAC: methyl 4-[[4-[benzoyloxy(methyl)amino]phenyl]diazenyl]benzoate

Names & synonyms

55936-75-9Benzoic acid, p-((p-(benzoyloxymethylamino)phenyl)azo)-, methyl esterBRN 18308974'-Methoxycarbonyl-N-benzoyloxy-N-methyl-4-aminoazobenzeneBENZOIC ACID, p-((p-(METHYLHYDROXYAMINO)PHENYL)AZO)-, METHYL ESTER, BENZOATEDTXSID401038337Benzoic acid, 4-[2-[4-[(benzoyloxy)methylamino]phenyl]diazenyl]-, methyl ester

Database identifiers

CAS: 55936-75-9
PubChem CID: 41665
DTXSID: DTXSID401038337
Nikkaji: J87.843J

Properties

Computed structural properties

XLogP: 5.4
Topological polar surface area: 80.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 8
Heavy atoms: 29
Formal charge: 0
Complexity: 560

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