7-Bromo-4-chloro-6,8-difluoroquinazoline
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Basic information
- CAS
1698027-88-1- Standard SMILES
Fc1cc2c(Cl)ncnc2c(F)c1Br- InChIKey
KCEFWGGRRSZUIP-UHFFFAOYSA-N- Molecular formula
- C8H2BrClF2N2
- Average molar mass
- 279.47 g/mol
- Monoisotopic mass
- 277.90579
Names & identifiers
- Preferred name
- 7-Bromo-4-chloro-6,8-difluoroquinazoline
- IUPAC
- 7-bromo-4-chloro-6,8-difluoroquinazoline
- English name
- Quinazoline, 7-bromo-4-chloro-6,8-difluoro-
- Molecular formula
- C8H2BrClF2N2
- Molecular weight
- 279.47
Names & synonyms
7-bromo-4-chloro-6,8-difluoroquinazoline1698027-88-1SCHEMBL16647200PB41204E79949C8H2BrClF2N2A937247MFCD31728446PS-166787-bromo-4-chloro-6,8-difluoro-quinazolineF850383Quinazoline, 7-bromo-4-chloro-6,8-difluoro-
Database identifiers
- CAS
1698027-88-1- PubChem CID
- 118019157
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 222
Physicochemical properties
- Boiling point
- 331 · 331.0±37.0 °C(Predicted)
- Density
- 1.906 · 1.906±0.06 g/cm3(Predicted)
- pka
- 0.15 · 0.15±0.70(Predicted)
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Related reactions
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Compound notes
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