Basic information
- CAS
887592-20-3- Standard SMILES
CC(C)(C)c1nc(Cl)c2cc(Br)ccc2n1- InChIKey
LGHJPIZBRMOLBV-UHFFFAOYSA-N- Molecular formula
- C12H12BrClN2
- Average molar mass
- 299.59 g/mol
- Monoisotopic mass
- 297.98724
Names & identifiers
- Preferred name
- 6-Bromo-2-(tert-butyl)-4-chloroquinazoline
- IUPAC
- 6-bromo-2-tert-butyl-4-chloroquinazoline
- English name
- QUINAZOLINE, 6-BROMO-4-CHLORO-2-(1,1-DIMETHYLETHYL)-
- Molecular formula
- C12H12BrClN2
- Molecular weight
- 299.59
Names & synonyms
6-Bromo-2-(tert-butyl)-4-chloroquinazoline887592-20-36-bromo-2-tert-butyl-4-chloroquinazolineDTXSID60695395QUINAZOLINE, 6-BROMO-4-CHLORO-2-(1,1-DIMETHYLETHYL)-
Database identifiers
- CAS
887592-20-3- PubChem CID
- 53404458
- DTXSID
DTXSID60695395
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 254
Physicochemical properties
- Boiling point
- 305.5 · 305.5±24.0 °C(Predicted)
- Density
- 1.462 · 1.462±0.06 g/cm3(Predicted)
- pka
- 0.75 · 0.75±0.50(Predicted)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…