| CAS Number | 105679-33-2 |
| Catalog Number | AG019TUV(AGN-PC-0NW66Y) |
| Chemical Name | 7-bromo-6-chloro-3,4-dihydro-2H-1,4-benzoxazine |
| IUPAC Name | 7-bromo-6-chloro-3,4-dihydro-2H-1,4-benzoxazine |
| InChI | InChI=1S/C8H7BrClNO/c9-5-3-8-7(4-6(5)10)11-1-2-12-8/h3-4,11H,1-2H2 |
| InChI Key | BAUAOJVZMYGURE-UHFFFAOYSA-N |
| MDL Number | MFCD21602798 |
| Molecular Formula | C8H7BrClNO |
| Molecular Weight | 248.5043 |
| SMILES | C1COC2=CC(=C(C=C2N1)Cl)Br |
| Synonyms | 7-bromo-6-chloro-3,4-dihydro-2H-1,4-benzoxazine,
105679-33-2,
SCHEMBL20564240,
ZINC72266677,
AKOS026726667,
MCULE-7777241741,
NE16756,
Z1335657671,
7-Bromo-6-chloro-3,4-dihydro-2H-benzo[b][1,4]oxazine,
|
| Complexity | 169 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.94g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.504g/mol |
| Monoisotopic Mass | 246.94g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number