6-Fluoro-2-methyl-2,4-dihydro-1,4-benzoxazin-3-one - CAS 925005-78-3
Catalog: |
BB063404 |
Product Name: |
6-Fluoro-2-methyl-2,4-dihydro-1,4-benzoxazin-3-one |
CAS: |
925005-78-3 |
Synonyms: |
6-Fluoro-2-methyl-2,4-dihydro-1,4-benzoxazin-3-one; 6-Fluoro-2-methyl-2H-benzo[b][1,4]oxazin-3(4H)-one; 6-fluoro-2-methyl-4H-1,4-benzoxazin-3-one; 6-fluoro-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one |
IUPAC Name: | 6-fluoro-2-methyl-4H-1,4-benzoxazin-3-one |
Description: | 6-Fluoro-2-methyl-2,4-dihydro-1,4-benzoxazin-3-one |
Molecular Weight: | 181.16 |
Molecular Formula: | C9H8FNO2 |
Canonical SMILES: | CC1C(=O)NC2=C(O1)C=CC(=C2)F |
InChI: | InChI=1S/C9H8FNO2/c1-5-9(12)11-7-4-6(10)2-3-8(7)13-5/h2-5H,1H3,(H,11,12) |
InChI Key: | YXPWKASGRAGXCE-UHFFFAOYSA-N |
Complexity: | 222 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 181.05390666 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 181.05390666 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 38.3Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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