| CAS Number | 391860-73-4 |
| Catalog Number | AG00C79N(AGN-PC-0NEKZ3) |
| Chemical Name | Efavirenz Related Compound C (20 mg) (6-chloro-2-cyclopropyl-4-(trifluoromethyl)quinoline) |
| IUPAC Name | 6-chloro-2-cyclopropyl-4-(trifluoromethyl)quinoline |
| InChI | InChI=1S/C13H9ClF3N/c14-8-3-4-11-9(5-8)10(13(15,16)17)6-12(18-11)7-1-2-7/h3-7H,1-2H2 |
| InChI Key | CXGFIHCGWHSIQO-UHFFFAOYSA-N |
| MDL Number | MFCD26142873 |
| Molecular Formula | C13H9ClF3N |
| Molecular Weight | 271.6655 |
| SMILES | FC(F)(F)c1cc(nc2ccc(Cl)cc12)C3CC3 |
| UNII | ZC619V1CML |
| Synonyms | 391860-73-4,
6-chloro-2-cyclopropyl-4-(trifluoromethyl)quinoline,
UNII-ZC619V1CML,
ZC619V1CML,
6-Chloro-2-cyclopropyl-4-(trifluoromethyl)-quinoline,
Efavirenz Related Compound C,
Efavirenz impurity, quinoline analog-,
2-Cyclopropyl-6-chloro-4-(trifluoromethyl)quinoline,
Quinoline, 6-chloro-2-cyclopropyl-4-(trifluoromethyl)-,
DTXSID30192427,
MFCD26142873,
STL454185,
AKOS027447860,
2-Cyclopropyl-4-(trifluoromethyl)-6-chloroquinoline,
Efavirenz Related Compound C (20 mg) (6-chloro-2-cyclopropyl-4-(trifluoromethyl)quinoline),
CID11022010,
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| Complexity | 316 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.667g/mol |
| Monoisotopic Mass | 271.038g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
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Certificate of Analysis
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