| CAS Number | 1194375-62-6 |
| Catalog Number | AG000IRY(AGN-PC-02U0B0) |
| Chemical Name | Isoquinoline, 6-(trifluoromethyl)- |
| IUPAC Name | 6-(trifluoromethyl)isoquinoline |
| InChI | InChI=1S/C10H6F3N/c11-10(12,13)9-2-1-8-6-14-4-3-7(8)5-9/h1-6H |
| InChI Key | FFXLPXFDDMEXSB-UHFFFAOYSA-N |
| MDL Number | MFCD11226967 |
| Molecular Formula | C10H6F3N |
| Molecular Weight | 197.1565 |
| SMILES | FC(C1=CC2=C(C=NC=C2)C=C1)(F)F |
| Synonyms | 6-(Trifluoromethyl)isoquinoline,
1194375-62-6,
SCHEMBL11139756,
DTXSID30608053,
Isoquinoline, 6-(trifluoromethyl)-,
ANW-75157,
MFCD11226967,
ZINC82048497,
AKOS006322883,
MB09809,
AS-49716,
AJ-124729,
TC-163902,
Y5807,
C10H6F3N,
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| Complexity | 202 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.16g/mol |
| Monoisotopic Mass | 197.045g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number