6-Bromo-5,8-difluoro-2H-benzo[b][1,4]oxazin-3(4H)-one - CAS 1221502-86-8
Catalog: |
BB005350 |
Product Name: |
6-Bromo-5,8-difluoro-2H-benzo[b][1,4]oxazin-3(4H)-one |
CAS: |
1221502-86-8 |
Synonyms: |
6-bromo-5,8-difluoro-4H-1,4-benzoxazin-3-one; 6-bromo-5,8-difluoro-4H-1,4-benzoxazin-3-one |
IUPAC Name: | 6-bromo-5,8-difluoro-4H-1,4-benzoxazin-3-one |
Description: | 6-Bromo-5,8-difluoro-2H-benzo[b][1,4]oxazin-3(4H)-one (CAS# 1221502-86-8 ) is a useful research chemical. |
Molecular Weight: | 264.02 |
Molecular Formula: | C8H4BrF2NO2 |
Canonical SMILES: | C1C(=O)NC2=C(O1)C(=CC(=C2F)Br)F |
InChI: | InChI=1S/C8H4BrF2NO2/c9-3-1-4(10)8-7(6(3)11)12-5(13)2-14-8/h1H,2H2,(H,12,13) |
InChI Key: | PMRIRTXJFKZELU-UHFFFAOYSA-N |
LogP: | 2.19620 |
Publication Number | Title | Priority Date |
US-2010094000-A1 | Pyrazole compounds | 20080903 |
Complexity: | 254 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 262.93935 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 262.93935 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 38.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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