| CAS Number | 1261728-71-5 |
| Catalog Number | AG00HJ2S(AGN-PC-0WG43O) |
| Chemical Name | 7-(Difluoromethyl)quinoline |
| IUPAC Name | 7-(difluoromethyl)quinoline |
| InChI | InChI=1S/C10H7F2N/c11-10(12)8-4-3-7-2-1-5-13-9(7)6-8/h1-6,10H |
| InChI Key | CPYCSVBOWJMMBM-UHFFFAOYSA-N |
| MDL Number | MFCD18416340 |
| Molecular Formula | C10H7F2N |
| Molecular Weight | 179.1661 |
| SMILES | FC(c1ccc2c(c1)nccc2)F |
| Synonyms | 7-(Difluoromethyl)quinoline,
1261728-71-5,
SCHEMBL17785872,
CPYCSVBOWJMMBM-UHFFFAOYSA-N,
MFCD18416340,
AKOS027255800,
ZINC238661525,
CS-0037130,
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| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.17g/mol |
| Monoisotopic Mass | 179.055g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number