Basic information
- CAS
882082-27-1- Standard SMILES
O=[N+]([O-])c1cc(Nc2ncnc3ccc(Br)cc23)ccc1F- InChIKey
RFFZAGFTENCCSB-UHFFFAOYSA-N- Molecular formula
- C14H8BrFN4O2
- Average molar mass
- 363.14 g/mol
Names & identifiers
- Preferred name
- 6-bromo-N-(4-fluoro-3-nitrophenyl)quinazolin-4-amine
- IUPAC
- 6-bromo-N-(4-fluoro-3-nitrophenyl)quinazolin-4-amine
- English name
- 6-Bromo-N-(4-fluoro-3-nitrophenyl)-4-quinazolinamine
- Molecular formula
- C14H8BrFN4O2
- Molecular weight
- 363.14
Names & synonyms
6-bromo-N-(4-fluoro-3-nitrophenyl)quinazolin-4-amine882082-27-16-bromo-N-(4-fluoro-3-nitrophenyl)-4-quinazolinamineAKOS005108305JS-21094-Quinazolinamine, 6-bromo-N-(4-fluoro-3-nitrophenyl)-N-(6-BROMO-4-QUINAZOLINYL)-N-(4-FLUORO-3-NITROPHENYL)AMINE
Database identifiers
- CAS
882082-27-1
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 411
Physicochemical properties
- Boiling point
- 489.5 · 489.5±45.0 °C(Predicted)
- Density
- 1.743 · 1.743±0.06 g/cm3(Predicted)
- pka
- 4.76 · 4.76±0.30(Predicted)
Chemistry & industry
Suppliers3 total
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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