| CAS Number | 871548-31-1 |
| Catalog Number | AG00IEE6(AGN-PC-0WBPT0) |
| Chemical Name | 2-Chloro-3-methyl-3,4-dihydroquinazolin-4-one |
| IUPAC Name | 2-chloro-3-methylquinazolin-4-one |
| InChI | InChI=1S/C9H7ClN2O/c1-12-8(13)6-4-2-3-5-7(6)11-9(12)10/h2-5H,1H3 |
| InChI Key | IDNBSWSOGBWEAT-UHFFFAOYSA-N |
| MDL Number | MFCD07352255 |
| Molecular Formula | C9H7ClN2O |
| Molecular Weight | 194.6177 |
| SMILES | O=C1N(C)C(Cl)=NC2=C1C=CC=C2 |
| Synonyms | 871548-31-1,
2-chloro-3-methylquinazolin-4(3H)-one,
2-chloro-3-methyl-3,4-dihydroquinazolin-4-one,
AC1OFL1R,
AC1Q3Y30,
SCHEMBL2611507,
CTK6I1596,
chloro-3-methyl-4-oxoquinazoline,
IDNBSWSOGBWEAT-UHFFFAOYSA-N,
2-chloro-3-methylquinazolin-4-one,
ZINC4218671,
MFCD07352255,
AKOS009037412,
MCULE-5862896141,
NE28983,
EN300-14962,
F8880-8599,
ZINC04218671,
CID7131261,
|
| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.618g/mol |
| Monoisotopic Mass | 194.025g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 32.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number