Basic information
- CAS
21354-25-6- Standard SMILES
O=C(Nc1cc(Cl)ccc1Cl)c1ccc(Br)cc1- InChIKey
BQZOKSGAOBHKTO-UHFFFAOYSA-N- Molecular formula
- C13H8BrCl2NO
- Average molar mass
- 345 g/mol
- Monoisotopic mass
- 342.91663
Names & identifiers
- Preferred name
- 4-bromo-N-(2,5-dichlorophenyl)benzamide
- IUPAC
- 4-bromo-N-(2,5-dichlorophenyl)benzamide
- English name
- 4-bromo-N-(2,5-dichlorophenyl)benzamide
- Molecular formula
- C13H8BrCl2NO
- Molecular weight
- 345.02
Names & synonyms
4-bromo-N-(2,5-dichlorophenyl)benzamide21354-25-6Cambridge id 5263826CBDivE_013919DTXSID601279371STK412554AKOS000177630ST50920698N-(2,5-dichlorophenyl)(4-bromophenyl)carboxamideBenzamide, 4-bromo-N-(2,5-dichlorophenyl)-
Database identifiers
- CAS
21354-25-6- PubChem CID
- 763593
- DTXSID
DTXSID601279371
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 295
Physicochemical properties
- Boiling point
- 350.4 · 350.4±42.0 °C(Predicted)
- Density
- 1.655 · 1.655±0.06 g/cm3(Predicted)
- pka
- 11.54 · 11.54±0.70(Predicted)
Chemistry & industry
Suppliers4 total
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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