| CAS Number | 943995-18-4 |
| Catalog Number | AG00II4W |
| Chemical Name | 6-Bromo-8-methoxy-2H-benzo[b][1,4]oxazin-3(4H)-one |
| IUPAC Name | 6-bromo-8-methoxy-4H-1,4-benzoxazin-3-one |
| InChI | InChI=1S/C9H8BrNO3/c1-13-7-3-5(10)2-6-9(7)14-4-8(12)11-6/h2-3H,4H2,1H3,(H,11,12) |
| InChI Key | MIXOICKBNDQVQQ-UHFFFAOYSA-N |
| MDL Number | MFCD11501897 |
| Molecular Formula | C9H8BrNO3 |
| Molecular Weight | 258.0687 |
| SMILES | BrC1=CC2=C(OCC(N2)=O)C(=C1)OC |
| Synonyms | 943995-18-4,
6-BROMO-8-METHOXY-2H-BENZO[B][1,4]OXAZIN-3(4H)-ONE,
2H-1,4-Benzoxazin-3(4H)-one, 6-bromo-8-methoxy-,
SCHEMBL4293613,
AR3713,
MFCD11501897,
ZINC35287610,
AS-45672,
X-2875,
6-bromo-8-methoxy-3,4-dihydro-2H-1,4-benzoxazin-3-one,
|
| Complexity | 236 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.969g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.071g/mol |
| Monoisotopic Mass | 256.969g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 47.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number