| CAS Number | 925005-78-3 |
| Catalog Number | AG00IH6F(AGN-PC-0WOKEY) |
| Chemical Name | 6-Fluoro-2-methyl-2,4-dihydro-1,4-benzoxazin-3-one |
| IUPAC Name | 6-fluoro-2-methyl-4H-1,4-benzoxazin-3-one |
| 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 |
| MDL Number | MFCD08446952 |
| Molecular Formula | C9H8FNO2 |
| Molecular Weight | 181.1637 |
| SMILES | CC1C(=O)NC2=C(C=CC(=C2)F)O1 |
| Synonyms | 6-Fluoro-2-methyl-2,4-dihydro-1,4-benzoxazin-3-one,
925005-78-3,
6-Fluoro-2-methyl-2H-benzo[b][1,4]oxazin-3(4H)-one,
AKOS006288921,
V9182,
C9H8FNO2,
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| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.166g/mol |
| Monoisotopic Mass | 181.054g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
Lot Number