Basic information
- CAS
880074-95-3- Standard SMILES
Cc1ccccc1C(=O)Oc1ccc(Br)cc1/C=N/NC(=O)c1cccc(Br)c1- InChIKey
SZWMSQCBUSITJZ-DHRITJCHSA-N- Molecular formula
- C22H16Br2N2O3
- Average molar mass
- 516.2 g/mol
- Monoisotopic mass
- 513.95277
Names & identifiers
- Preferred name
- 4-Bromo-2-(2-(3-bromobenzoyl)carbohydrazonoyl)phenyl 2-methylbenzoate
- IUPAC
- [4-bromo-2-[(E)-[(3-bromobenzoyl)hydrazinylidene]methyl]phenyl] 2-methylbenzoate
- English name
- 4-Bromo-2-(2-(3-bromobenzoyl)carbohydrazonoyl)phenyl 2-methylbenzoate
- Molecular formula
- C22H16Br2N2O3
- Molecular weight
- 516.18
Names & synonyms
AKOS0244115774-BROMO-2-(2-(3-BROMOBENZOYL)CARBOHYDRAZONOYL)PHENYL 2-METHYLBENZOATEBenzoic acid, 2-methyl-, 4-bromo-2-[[2-(3-bromobenzoyl)hydrazinylidene]methyl]phenyl ester
Database identifiers
- CAS
880074-95-3- PubChem CID
- 9656458
- EC Number
- 131-252-0
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 601
Physicochemical properties
- Density
- 1.537 · 1.537±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.543 · 11.543±0.46(predicted)
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMA ALDRICH IRELAND LTD[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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