| CAS Number | 1042973-67-0 |
| Catalog Number | AG00HABT(AGN-PC-0WBKPJ) |
| Chemical Name | 8-Amino-6-chloro-4h-benzo[1,4]oxazin-3-one |
| IUPAC Name | 8-amino-6-chloro-4H-1,4-benzoxazin-3-one |
| InChI | InChI=1S/C8H7ClN2O2/c9-4-1-5(10)8-6(2-4)11-7(12)3-13-8/h1-2H,3,10H2,(H,11,12) |
| InChI Key | LFQDPHSIICCBLE-UHFFFAOYSA-N |
| MDL Number | MFCD19105298 |
| Molecular Formula | C8H7ClN2O2 |
| Molecular Weight | 198.6064 |
| SMILES | NC1=C2OCC(NC2=CC(Cl)=C1)=O |
| Synonyms | 8-Amino-6-chloro-4H-benzo[1,4]oxazin-3-one,
1042973-67-0,
8-amino-6-chloro-2H-benzo[b][1,4]oxazin-3(4H)-one,
8-amino-6-chloro-3,4-dihydro-2H-1,4-benzoxazin-3-one,
SCHEMBL3174255,
LFQDPHSIICCBLE-UHFFFAOYSA-N,
ZINC30714984,
AKOS006309869,
MCULE-7100285512,
DB-059121,
FT-0702872,
Z2096087876,
8-amino-6-chloro-3,4-dihydro-2H-benzo[1,4]oxazin-3-one,
N/A,
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| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.606g/mol |
| Monoisotopic Mass | 198.02g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number