| CAS Number | 1245708-34-2 |
| Catalog Number | AG00HHP2 |
| Chemical Name | 7-bromo-2-methyl-3,4-dihydro-2H-1,4-benzoxazine |
| IUPAC Name | 7-bromo-2-methyl-3,4-dihydro-2H-1,4-benzoxazine |
| InChI | InChI=1S/C9H10BrNO/c1-6-5-11-8-3-2-7(10)4-9(8)12-6/h2-4,6,11H,5H2,1H3 |
| InChI Key | UOPSIXDWTXOYCJ-UHFFFAOYSA-N |
| MDL Number | MFCD19376491 |
| Molecular Formula | C9H10BrNO |
| Molecular Weight | 228.0858 |
| SMILES | CC1CNc2ccc(cc2O1)Br |
| Synonyms | 1245708-34-2,
7-bromo-2-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine,
7-bromo-2-methyl-3,4-dihydro-2H-1,4-benzoxazine,
2H-1,4-Benzoxazine, 7-bromo-3,4-dihydro-2-methyl-,
SCHEMBL10197579,
UOPSIXDWTXOYCJ-UHFFFAOYSA-N,
MFCD19376491,
AKOS022470191,
Z2588063780,
|
| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.089g/mol |
| Monoisotopic Mass | 226.995g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number