Basic information
- CAS
639811-17-9- Standard SMILES
O=C(Nc1c(F)cccc1F)c1ccc(F)cc1- InChIKey
YHNJQXYUMPKRMT-UHFFFAOYSA-N- Molecular formula
- C13H8F3NO
- Average molar mass
- 251.2 g/mol
- Monoisotopic mass
- 251.05579836
Names & identifiers
- Preferred name
- N-(2,6-Difluorophenyl)-4-fluorobenzamide
- IUPAC
- N-(2,6-difluorophenyl)-4-fluorobenzamide
- English name
- Benzamide, N-(2,6-difluorophenyl)-4-fluoro- (9CI)
- Molecular formula
- C13H8F3NO
- Molecular weight
- 251.2
Names & synonyms
N-(2,6-Difluorophenyl)-4-fluorobenzamide639811-17-9DTXSID90649700AKOS008921424ST51045268N-(2,6-difluorophenyl)(4-fluorophenyl)carboxamideZ30845090Benzamide, N-(2,6-difluorophenyl)-4-fluoro-N-(2,6-Difluorophenyl)-4-fluorobenzaMide, 97%Benzamide, N-(2,6-difluorophenyl)-4-fluoro- (9CI)
Database identifiers
- CAS
639811-17-9- PubChem CID
- 25465663
- DTXSID
DTXSID90649700
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 282
Physicochemical properties
- Boiling point
- 240.9 · 240.9±40.0 °C(Predicted)
- Density
- 1.388 · 1.388±0.06 g/cm3(Predicted)
- pka
- 11.22 · 11.22±0.70(Predicted)
- CAS DataBase Reference
- 639811 · 639811-17-9
Chemistry & industry
Suppliers4 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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