| CAS Number | 1198154-62-9 |
| Catalog Number | AG00HF4J(AGN-PC-0WQX1G) |
| Chemical Name | 8-Chloro-1H-pyrido[2,3-B][1,4]oxazin-2(3H)-one |
| IUPAC Name | 8-chloro-1H-pyrido[2,3-b][1,4]oxazin-2-one |
| InChI | InChI=1S/C7H5ClN2O2/c8-4-1-2-9-7-6(4)10-5(11)3-12-7/h1-2H,3H2,(H,10,11) |
| InChI Key | UCYJENXXRAZUTD-UHFFFAOYSA-N |
| MDL Number | MFCD24617070 |
| Molecular Formula | C7H5ClN2O2 |
| Molecular Weight | 184.5798 |
| SMILES | ClC1=C2NC(=O)COC2=NC=C1 |
| Synonyms | 8-CHLORO-1H-PYRIDO[2,3-B][1,4]OXAZIN-2(3H)-ONE,
1198154-62-9,
8-Chloro-1h,2h,3h-pyrido[2,3-b][1,4]oxazin-2-one,
SCHEMBL1190247,
UCYJENXXRAZUTD-UHFFFAOYSA-N,
MFCD24617070,
ZINC95835824,
AS-42376,
8-chloro-1H-pyrido[2,3-b][1,4]oxazin-2-one,
|
| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.579g/mol |
| Monoisotopic Mass | 184.004g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 51.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number