| CAS Number | 1185320-25-5 |
| Catalog Number | AG008V3W(AGN-PC-0WB5EB) |
| Chemical Name | 7-Chloro-6-methyl-2h-1,4-benzoxazin-3(4h)-one |
| IUPAC Name | 7-chloro-6-methyl-4H-1,4-benzoxazin-3-one |
| InChI | InChI=1S/C9H8ClNO2/c1-5-2-7-8(3-6(5)10)13-4-9(12)11-7/h2-3H,4H2,1H3,(H,11,12) |
| InChI Key | ILBVDYONJMQLQR-UHFFFAOYSA-N |
| MDL Number | MFCD12827490 |
| Molecular Formula | C9H8ClNO2 |
| Molecular Weight | 197.6183 |
| SMILES | N1C(COC2C=C(Cl)C(C)=CC1=2)=O |
| Synonyms | 1185320-25-5,
7-chloro-6-methyl-2h-1,4-benzoxazin-3(4h)-one,
7-Chloro-6-methyl-2H-benzo[b][1,4]oxazin-3(4H)-one,
ZX-CM007938,
FCH923824,
MFCD12827490,
ZINC42383811,
AKOS006343811,
AJ-104281,
Y-7266,
6-Methyl-7-chloro-2H-1,4-benzooxazine-3(4H)-one,
7-chloro-6-methyl-2H-1,4-benzoxazin-3(4H)-one(SALTDATA,
|
| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.618g/mol |
| Monoisotopic Mass | 197.024g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number