| CAS Number | 923177-83-7 |
| Catalog Number | AG019PYB(AGN-PC-0WO0G3) |
| Chemical Name | 6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylic acid |
| IUPAC Name | 6-chloro-3-oxo-4H-1,4-benzoxazine-7-carboxylic acid |
| InChI | InChI=1S/C9H6ClNO4/c10-5-2-6-7(1-4(5)9(13)14)15-3-8(12)11-6/h1-2H,3H2,(H,11,12)(H,13,14) |
| InChI Key | OTIAZAMJOQYITN-UHFFFAOYSA-N |
| MDL Number | MFCD08444826 |
| Molecular Formula | C9H6ClNO4 |
| Molecular Weight | 227.6012 |
| SMILES | OC(C1=C(Cl)C=C2C(OCC(N2)=O)=C1)=O |
| Synonyms | 6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylic acid,
923177-83-7,
AC1Q727Y,
CTK7H4453,
ZINC20284518,
AKOS009113657,
DB-008489,
EN300-86714,
6-chloro-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-7-carboxylic acid,
|
| Complexity | 296 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.6g/mol |
| Monoisotopic Mass | 226.999g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number