| CAS Number | 959238-18-7 |
| Catalog Number | AG005WHF(AGN-PC-0NP8M4) |
| Chemical Name | 4-Chloro-8-fluoro-2-(trifluoromethyl)quinazoline |
| IUPAC Name | 4-chloro-8-fluoro-2-(trifluoromethyl)quinazoline |
| InChI | InChI=1S/C9H3ClF4N2/c10-7-4-2-1-3-5(11)6(4)15-8(16-7)9(12,13)14/h1-3H |
| InChI Key | UUHMCYYJRVPENY-UHFFFAOYSA-N |
| MDL Number | MFCD09954903 |
| Molecular Formula | C9H3ClF4N2 |
| Molecular Weight | 250.5801 |
| SMILES | FC1=C2C(C(=NC(C(F)(F)F)=N2)Cl)=CC=C1 |
| Synonyms | 4-Chloro-8-fluoro-2-(trifluoromethyl)quinazoline,
959238-18-7,
AK-31854,
CTK8B5615,
DTXSID20652964,
ANW-49328,
MFCD09954903,
ZINC26894565,
AKOS015919895,
DS-0765,
AJ-82862,
BR-31854,
CJ-17570,
AB0027892,
AX8213106,
TC-138073,
4CH-010529,
ST24023502,
W9791,
S-7539,
C9H3ClF4N2,
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| Complexity | 260 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.992g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.581g/mol |
| Monoisotopic Mass | 249.992g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 25.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number