| CAS Number | 1105664-58-1 |
| Catalog Number | AG0091LH |
| Chemical Name | 2-Chloro-5,6,7,8-tetrahydroquinazolin-8-one |
| IUPAC Name | 2-chloro-6,7-dihydro-5H-quinazolin-8-one |
| InChI | InChI=1S/C8H7ClN2O/c9-8-10-4-5-2-1-3-6(12)7(5)11-8/h4H,1-3H2 |
| InChI Key | UXXAEOQTOHCKGT-UHFFFAOYSA-N |
| MDL Number | MFCD18375225 |
| Molecular Formula | C8H7ClN2O |
| Molecular Weight | 182.607 |
| SMILES | ClC1=NC2=C(CCCC2=O)C=N1 |
| Synonyms | 2-chloro-6,7-dihydroquinazolin-8(5H)-one,
1105664-58-1,
2-chloro-6,7-dihydro-5H-quinazolin-8-one,
SCHEMBL427251,
UXXAEOQTOHCKGT-UHFFFAOYSA-N,
AKOS030629350,
ZINC113810872,
DA-47858,
FT-0764916,
ACN-043827,
|
| Complexity | 198 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.607g/mol |
| Monoisotopic Mass | 182.025g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 42.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number