| CAS Number | 1698026-73-1 |
| Catalog Number | AG00HZCF |
| Chemical Name | 6-Bromo-7-chloro-2-methylquinazolin-4-ol |
| IUPAC Name | 6-bromo-7-chloro-2-methyl-3H-quinazolin-4-one |
| InChI | InChI=1S/C9H6BrClN2O/c1-4-12-8-3-7(11)6(10)2-5(8)9(14)13-4/h2-3H,1H3,(H,12,13,14) |
| InChI Key | OOMALTMQVIGSRO-UHFFFAOYSA-N |
| MDL Number | MFCD28397299 |
| Molecular Formula | C9H6BrClN2O |
| Molecular Weight | 273.5137 |
| SMILES | CC1=NC2=CC(Cl)=C(Br)C=C2C(O)=N1 |
| Synonyms | 6-Bromo-7-chloro-2-methylquinazolin-4-ol,
1698026-73-1,
SCHEMBL16636919,
OOMALTMQVIGSRO-UHFFFAOYSA-N,
MFCD28397299,
ZINC217048498,
AS-36421,
|
| Complexity | 295 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.935g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.514g/mol |
| Monoisotopic Mass | 271.935g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 41.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
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