| CAS Number | 1267046-92-3 |
| Catalog Number | AG000T41(AGN-PC-0BGIDN) |
| Chemical Name | 8-Bromo-6-fluoro-2-methyl-2,4-dihydro-1,4-benzoxazin-3-one |
| IUPAC Name | 8-bromo-6-fluoro-2-methyl-4H-1,4-benzoxazin-3-one |
| InChI | InChI=1S/C9H7BrFNO2/c1-4-9(13)12-7-3-5(11)2-6(10)8(7)14-4/h2-4H,1H3,(H,12,13) |
| InChI Key | KGWJZEBWSYTSQN-UHFFFAOYSA-N |
| MDL Number | MFCD19378329 |
| Molecular Formula | C9H7BrFNO2 |
| Molecular Weight | 260.0598 |
| SMILES | O=C1Nc2cc(F)cc(c2OC1C)Br |
| Synonyms | 1267046-92-3,
8-Bromo-6-fluoro-2-methyl-2,4-dihydro-1,4-benzoxazin-3-one,
ACMC-209bbk,
C9H7BrFNO2,
CTK8A9930,
DTXSID60718437,
ANW-18942,
MFCD19378329,
AKOS022471949,
TC-107687,
Z9335,
K-3941,
8-Bromo-6-fluoro-2-methyl-2H-1,4-benzoxazin-3(4H)-one,
2H-1,4-Benzoxazin-3(4H)-one, 8-bromo-6-fluoro-2-methyl-,
8-bromo-6-fluoro-2-methyl-4H-1,4-benzoxazin-3-one,
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| Complexity | 251 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.964g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.062g/mol |
| Monoisotopic Mass | 258.964g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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