| CAS Number | 1508393-11-0 |
| Catalog Number | AG00HXTS |
| Chemical Name | 7-Chloro-4-methyl-2H-1,4-benzoxazin-3-one |
| IUPAC Name | 7-chloro-4-methyl-1,4-benzoxazin-3-one |
| InChI | InChI=1S/C9H8ClNO2/c1-11-7-3-2-6(10)4-8(7)13-5-9(11)12/h2-4H,5H2,1H3 |
| InChI Key | MWJQKDMTYNAQDK-UHFFFAOYSA-N |
| MDL Number | MFCD26663865 |
| Molecular Formula | C9H8ClNO2 |
| Molecular Weight | 197.6183 |
| SMILES | Clc1ccc2c(c1)OCC(=O)N2C |
| Synonyms | 7-Chloro-4-methyl-2H-1,4-benzoxazin-3-one,
1508393-11-0,
ZINC84769873,
AKOS023490652,
7-chloro-4-methyl-2h-benzo[b][1,4]oxazin-3(4h)-one,
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| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.618g/mol |
| Monoisotopic Mass | 197.024g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number