| CAS Number | 1293987-84-4 |
| Catalog Number | AG009XGU(AGN-PC-0WOBQU) |
| Chemical Name | 7-Bromo-3-Methylquinazolin-4(3H)-One |
| IUPAC Name | 7-bromo-3-methylquinazolin-4-one |
| InChI | InChI=1S/C9H7BrN2O/c1-12-5-11-8-4-6(10)2-3-7(8)9(12)13/h2-5H,1H3 |
| InChI Key | IFLDEWORNSLMPE-UHFFFAOYSA-N |
| MDL Number | MFCD20257650 |
| Molecular Formula | C9H7BrN2O |
| Molecular Weight | 239.0687 |
| SMILES | BrC1=CC=C2C(N(C=NC2=C1)C)=O |
| Synonyms | 7-bromo-3-methylquinazolin-4(3H)-one,
1293987-84-4,
7-bromo-3-methyl-3,4-dihydroquinazolin-4-one,
SCHEMBL1500289,
IFLDEWORNSLMPE-UHFFFAOYSA-N,
7-bromo-3-methylquinazolin-4-one,
ZINC72627125,
AKOS017405854,
MCULE-4329452161,
NE38809,
7-Bromo-3-methyl-3H-quinazolin-4-one,
|
| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.072g/mol |
| Monoisotopic Mass | 237.974g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 32.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number