| CAS Number | 17518-95-5 |
| Catalog Number | AG00ASW4(AGN-PC-0BGIGK) |
| Chemical Name | 6-Bromo-7-chloroquinazolin-4-ol |
| IUPAC Name | 6-bromo-7-chloro-3H-quinazolin-4-one |
| InChI | InChI=1S/C8H4BrClN2O/c9-5-1-4-7(2-6(5)10)11-3-12-8(4)13/h1-3H,(H,11,12,13) |
| InChI Key | RTTTZYWVEGOBLI-UHFFFAOYSA-N |
| MDL Number | MFCD09907648 |
| Molecular Formula | C8H4BrClN2O |
| Molecular Weight | 259.4872 |
| SMILES | c1c2c(cc(c1Br)Cl)[nH]cnc2=O |
| Synonyms | 6-Bromo-7-chloroquinazolin-4-ol,
17518-95-5,
6-bromo-7-chloroquinazolin-4(3H)-one,
SCHEMBL16636937,
CTK8H2717,
RTTTZYWVEGOBLI-UHFFFAOYSA-N,
MFCD09907648,
ZINC74938067,
AKOS027255549,
6-Bromo-7-chloro-1h-quinazolin-4-one,
AM803350,
K-5367,
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| Complexity | 259 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.92g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.487g/mol |
| Monoisotopic Mass | 257.92g/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
Lot Number