| CAS Number | 947339-99-3 |
| Catalog Number | AG019VWC(AGN-PC-0WCR16) |
| Chemical Name | 4-chloro-6,7,8-trifluoroquinoline-3-carbonitrile |
| IUPAC Name | 4-chloro-6,7,8-trifluoroquinoline-3-carbonitrile |
| InChI | InChI=1S/C10H2ClF3N2/c11-7-4(2-15)3-16-10-5(7)1-6(12)8(13)9(10)14/h1,3H |
| InChI Key | SRZLLBCSDUNHPX-UHFFFAOYSA-N |
| MDL Number | MFCD09947327 |
| Molecular Formula | C10H2ClF3N2 |
| Molecular Weight | 242.5845 |
| SMILES | FC1=C(F)C(F)=C2C(C(=C(C=N2)C#N)Cl)=C1 |
| Synonyms | 4-chloro-6,7,8-trifluoroquinoline-3-carbonitrile,
947339-99-3,
EN300-49710,
AC1Q4LB0,
CTK7C9064,
ZINC19511361,
AKOS000194342,
MCULE-7005449174,
NE29019,
AB01002590-01,
Z600397666,
3-Quinolinecarbonitrile, 4-chloro-6,7,8-trifluoro-,
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| Complexity | 318 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.986g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.585g/mol |
| Monoisotopic Mass | 241.986g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 36.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number