6-Bromo-5-fluoroquinazolin-2(1H)-one - CAS 1036756-06-5
Catalog: |
BB044467 |
Product Name: |
6-Bromo-5-fluoroquinazolin-2(1H)-one |
CAS: |
1036756-06-5 |
Synonyms: |
2(1H)-Quinazolinone, 6-bromo-5-fluoro-; 6-Bromo-5-fluoro-2(1H)-quinazolinone; 6-bromo-5-fluoroquinazolin-2-ol |
IUPAC Name: | 6-bromo-5-fluoro-1H-quinazolin-2-one |
Description: | 6-Bromo-5-fluoroquinazolin-2(1H)-one (CAS# 1036756-06-5 ) is a useful research chemical. |
Molecular Weight: | 243.03 |
Molecular Formula: | C8H4BrFN2O |
Canonical SMILES: | C1=CC(=C(C2=C1NC(=O)N=C2)F)Br |
InChI: | InChI=1S/C8H4BrFN2O/c9-5-1-2-6-4(7(5)10)3-11-8(13)12-6/h1-3H,(H,11,12,13) |
InChI Key: | WTQILYCHECMEPZ-UHFFFAOYSA-N |
Purity: | ≥ 95 % |
Density: | 1.92±0.1 g/cm3 |
Complexity: | 259 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 241.9491 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 241.9491 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 41.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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