| CAS Number | 1003043-76-2 |
| Catalog Number | AG008ZB2(AGN-PC-0WCKN6) |
| Chemical Name | 6-Bromo-4-chloro-2-(methylsulfanyl)quinazoline |
| IUPAC Name | 6-bromo-4-chloro-2-methylsulfanylquinazoline |
| InChI | InChI=1S/C9H6BrClN2S/c1-14-9-12-7-3-2-5(10)4-6(7)8(11)13-9/h2-4H,1H3 |
| InChI Key | JVOCVKFAENOWJO-UHFFFAOYSA-N |
| MDL Number | MFCD11044642 |
| Molecular Formula | C9H6BrClN2S |
| Molecular Weight | 289.5793 |
| SMILES | CSc1nc(Cl)c2cc(Br)ccc2n1 |
| Synonyms | 6-Bromo-4-chloro-2-(methylsulfanyl)quinazoline,
1003043-76-2,
6-BROMO-4-CHLORO-2-(METHYLTHIO)QUINAZOLINE,
SCHEMBL1396319,
DTXSID60728511,
JVOCVKFAENOWJO-UHFFFAOYSA-N,
MFCD11044642,
ZINC66055010,
AKOS025403217,
SB11741,
CS-0036990,
QUINAZOLINE, 6-BROMO-4-CHLORO-2-(METHYLTHIO)-,
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| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 287.912g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.575g/mol |
| Monoisotopic Mass | 287.912g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 51.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
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Certificate of Analysis
Lot Number