7-Bromo-2-chloroquinazolin-4(3H)-one - CAS 744229-27-4
Catalog: |
BB044376 |
Product Name: |
7-Bromo-2-chloroquinazolin-4(3H)-one |
CAS: |
744229-27-4 |
Synonyms: |
7-Bromo-2-chloroquinazolin-4-ol; 7-Bromo-2-chloro-4(1H)-quinazolinone; 7-Bromo-2-chloro-4(3H)-quinazolinone; 7-Bromo-2-chloroquinazolin-4(1H)-one |
IUPAC Name: | 7-bromo-2-chloro-3H-quinazolin-4-one |
Description: | 7-Bromo-2-chloroquinazolin-4(3H)-one (CAS# 744229-27-4 ) is a useful research chemical. |
Molecular Weight: | 259.49 |
Molecular Formula: | C8H4BrClN2O |
Canonical SMILES: | C1=CC2=C(C=C1Br)N=C(NC2=O)Cl |
InChI: | InChI=1S/C8H4BrClN2O/c9-4-1-2-5-6(3-4)11-8(10)12-7(5)13/h1-3H,(H,11,12,13) |
InChI Key: | YPHTXSWJCJHDKU-UHFFFAOYSA-N |
Boiling Point: | 370.6±44.0 °C at 760 mmHg |
Purity: | ≥ 95 % |
Density: | 2.0±0.1 g/cm3 |
Complexity: | 269 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 257.91955 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 257.91955 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 41.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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