| CAS Number | 868371-91-9 |
| Catalog Number | AG00IE85(AGN-PC-0WOT7G) |
| Chemical Name | 8-Bromo-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one |
| IUPAC Name | 8-bromo-2-methyl-4H-1,4-benzoxazin-3-one |
| InChI | InChI=1S/C9H8BrNO2/c1-5-9(12)11-7-4-2-3-6(10)8(7)13-5/h2-5H,1H3,(H,11,12) |
| InChI Key | VHEPADRAYRQXLU-UHFFFAOYSA-N |
| MDL Number | MFCD19377261 |
| Molecular Formula | C9H8BrNO2 |
| Molecular Weight | 242.0693 |
| SMILES | CC1C(=O)NC2=C(C(=CC=C2)Br)O1 |
| Synonyms | 868371-91-9,
8-BROMO-2-METHYL-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-3-ONE,
8-Bromo-2-methyl-2H-benzo[b][1,4]oxazin-3(4H)-one,
2H-1,4-Benzoxazin-3(4H)-one, 8-bromo-2-methyl-,
SCHEMBL2070598,
VHEPADRAYRQXLU-UHFFFAOYSA-N,
MFCD19377261,
AKOS022470921,
FCH1356670,
AS-39013,
EN300-190386,
8-Bromo-2-methyl-2H-1,4-benzoxazin-3(4H)-one,
A1-09728,
|
| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.072g/mol |
| Monoisotopic Mass | 240.974g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number