| CAS Number | 1698027-18-7 |
| Catalog Number | AG00ILAD(AGN-PC-0WNGT9) |
| Chemical Name | 7-Bromo-6-chloro-8-fluoroquinazolin-4-ol |
| IUPAC Name | 7-bromo-6-chloro-8-fluoro-3H-quinazolin-4-one |
| InChI | InChI=1S/C8H3BrClFN2O/c9-5-4(10)1-3-7(6(5)11)12-2-13-8(3)14/h1-2H,(H,12,13,14) |
| InChI Key | RFAFUWAINQWMJO-UHFFFAOYSA-N |
| MDL Number | MFCD30719394 |
| Molecular Formula | C8H3BrClFN2O |
| Molecular Weight | 277.4776 |
| SMILES | OC1=NC=NC2=C(F)C(Br)=C(Cl)C=C12 |
| Synonyms | 7-bromo-6-chloro-8-fluoroquinazolin-4-ol,
1698027-18-7,
7-Bromo-6-chloro-8-fluoroquinazolin-4(3H)-one,
SCHEMBL16637093,
SCHEMBL18133910,
RFAFUWAINQWMJO-UHFFFAOYSA-N,
KS-000005MZ,
MFCD30719394,
ZINC261508301,
AS-53839,
CS-0050067,
7-Bromo-6-chloro-8-fluoro-quinazolin-4-ol,
na,
|
| Complexity | 289 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 275.91g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.477g/mol |
| Monoisotopic Mass | 275.91g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 41.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number