7,8-Difluoro-2,2-dimethyl-2H-benzo[b][1,4]oxazin-3(4H)-one - CAS 885517-43-1
Catalog: |
BB038958 |
Product Name: |
7,8-Difluoro-2,2-dimethyl-2H-benzo[b][1,4]oxazin-3(4H)-one |
CAS: |
885517-43-1 |
Synonyms: |
7,8-difluoro-2,2-dimethyl-4H-1,4-benzoxazin-3-one; 7,8-difluoro-2,2-dimethyl-4H-1,4-benzoxazin-3-one |
IUPAC Name: | 7,8-difluoro-2,2-dimethyl-4H-1,4-benzoxazin-3-one |
Description: | 7,8-Difluoro-2,2-dimethyl-2H-benzo[b][1,4]oxazin-3(4H)-one (CAS# 885517-43-1 ) is a useful research chemical. |
Molecular Weight: | 213.18 |
Molecular Formula: | C10H9F2NO2 |
Canonical SMILES: | CC1(C(=O)NC2=C(O1)C(=C(C=C2)F)F)C |
InChI: | InChI=1S/C10H9F2NO2/c1-10(2)9(14)13-6-4-3-5(11)7(12)8(6)15-10/h3-4H,1-2H3,(H,13,14) |
InChI Key: | WZBHBTPTKVPMBH-UHFFFAOYSA-N |
LogP: | 2.21230 |
Complexity: | 283 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 213.06013485 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 213.06013485 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 38.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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