| CAS Number | 1186195-11-8 |
| Catalog Number | AG01BAOW(AGN-PC-0WC905) |
| Chemical Name | 3-(Difluoromethyl)quinoline |
| IUPAC Name | 3-(difluoromethyl)quinoline |
| InChI | InChI=1S/C10H7F2N/c11-10(12)8-5-7-3-1-2-4-9(7)13-6-8/h1-6,10H |
| InChI Key | XDHSYBXDQCXLPM-UHFFFAOYSA-N |
| MDL Number | MFCD11226559 |
| Molecular Formula | C10H7F2N |
| Molecular Weight | 179.1661 |
| SMILES | FC(C1=CC2=C(C=CC=C2)N=C1)F |
| Synonyms | 3-(difluoromethyl)quinoline,
1186195-11-8,
ZINC77011934,
AKOS005255646,
|
| 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 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number