| CAS Number | 1245808-46-1 |
| Catalog Number | AG00A5RI(AGN-PC-0WQUHW) |
| Chemical Name | 7-Bromo-1H-benzo[d][1,3]oxazin-2(4H)-one |
| IUPAC Name | 7-bromo-1,4-dihydro-3,1-benzoxazin-2-one |
| InChI | InChI=1S/C8H6BrNO2/c9-6-2-1-5-4-12-8(11)10-7(5)3-6/h1-3H,4H2,(H,10,11) |
| InChI Key | RMTHEGCZJQQBPX-UHFFFAOYSA-N |
| MDL Number | MFCD12755795 |
| Molecular Formula | C8H6BrNO2 |
| Molecular Weight | 228.0427 |
| SMILES | O=C1OCC2=CC=C(C=C2N1)Br |
| Synonyms | 1245808-46-1,
7-bromo-1H-benzo[d][1,3]oxazin-2(4H)-one,
7-Bromobenzo[d][1,3]oxazin-2(4H)-one,
MFCD12755795,
ZINC45328871,
AC-29864,
CS-12445,
SY058763,
DB-012330,
FT-0749095,
MFCD12755795 (95%),
7-bromo-2,4-dihydro-1H-3,1-benzoxazin-2-one,
S14-1811,
|
| Complexity | 198 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.958g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.045g/mol |
| Monoisotopic Mass | 226.958g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number