| CAS Number | 934175-58-3 |
| Catalog Number | AG01DTN7(AGN-PC-0WONC4) |
| Chemical Name | Benzonitrile, 5-5(difluoromethyl)-2-fluoro- |
| IUPAC Name | 5-(difluoromethyl)-2-fluorobenzonitrile |
| InChI | InChI=1S/C8H4F3N/c9-7-2-1-5(8(10)11)3-6(7)4-12/h1-3,8H |
| InChI Key | ZUOWBZBLZCXHIY-UHFFFAOYSA-N |
| MDL Number | MFCD18395398 |
| Molecular Formula | C8H4F3N |
| Molecular Weight | 171.1193 |
| SMILES | N#Cc1cc(ccc1F)C(F)F |
| Synonyms | 934175-58-3,
BEnzonitrile, 5-5(difluoromethyl)-2-fluoro-,
Benzonitrile, 5-(difluoromethyl)-2-fluoro-,
SCHEMBL2824439,
5-(difluoromethyl)-2-fluorobenzonitrile,
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| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.122g/mol |
| Monoisotopic Mass | 171.03g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number