| CAS Number | 730992-78-6 |
| Catalog Number | AG00ICCV |
| Chemical Name | 2-(Chloromethyl)-3-(2-oxopropyl)-3,4-dihydroquinazolin-4-one |
| IUPAC Name | 2-(chloromethyl)-3-(2-oxopropyl)quinazolin-4-one |
| InChI | InChI=1S/C12H11ClN2O2/c1-8(16)7-15-11(6-13)14-10-5-3-2-4-9(10)12(15)17/h2-5H,6-7H2,1H3 |
| InChI Key | XNPNYTGJPXFUKN-UHFFFAOYSA-N |
| MDL Number | MFCD04624267 |
| Molecular Formula | C12H11ClN2O2 |
| Molecular Weight | 250.6809 |
| SMILES | CC(CN1C(=O)C2=C(C=CC=C2)N=C1CCl)=O |
| Synonyms | 730992-78-6,
2-(chloromethyl)-3-(2-oxopropyl)quinazolin-4(3H)-one,
2-(chloromethyl)-3-(2-oxopropyl)-3,4-dihydroquinazolin-4-one,
AC1M6KXQ,
AC1Q1K68,
CTK6H6940,
ZINC3284962,
MFCD04624267,
AKOS030698672,
MCULE-6556253372,
NE44188,
EN300-06915,
2-(Chloromethyl)-3-acetonylquinazoline-4(3H)-one,
2-(chloromethyl)-3-(2-oxopropyl)quinazolin-4-one,
ZINC03284962,
CID2400488,
|
| Complexity | 368 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.682g/mol |
| Monoisotopic Mass | 250.051g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number