| CAS Number | 950577-05-6 |
| Catalog Number | AG00IIP9(AGN-PC-0WOKZJ) |
| Chemical Name | 6-bromo-7-methoxy-4(3H)-Quinazolinone |
| IUPAC Name | 6-bromo-7-methoxy-3H-quinazolin-4-one |
| InChI | InChI=1S/C9H7BrN2O2/c1-14-8-3-7-5(2-6(8)10)9(13)12-4-11-7/h2-4H,1H3,(H,11,12,13) |
| InChI Key | WSJIADZBJSYSIW-UHFFFAOYSA-N |
| MDL Number | MFCD26389294 |
| Molecular Formula | C9H7BrN2O2 |
| Molecular Weight | 255.0681 |
| SMILES | BrC=1C=C2C(NC=NC2=CC1OC)=O |
| Synonyms | 950577-05-6,
6-bromo-7-methoxyquinazolin-4(3H)-one,
4(3H)-Quinazolinone, 6-bromo-7-methoxy-,
SCHEMBL857725,
SCHEMBL16432412,
SCHEMBL20355452,
WSJIADZBJSYSIW-UHFFFAOYSA-N,
6-bromo-7-methoxyquinazolin-4-ol,
AKOS027324053,
ZINC114719008,
6-Bromo-7-methoxy-3H-quinazolin-4-one,
6-bromo-7-methoxyquinazolin-4(1H)-one,
6-bromo-7-methoxy-3,4-dihydroquinazolin-4-one,
Z2379087811,
6-bromo-7-methoxyquinazoline-4(3h)-one,
|
| Complexity | 270 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.969g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.071g/mol |
| Monoisotopic Mass | 253.969g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number