| CAS Number | 1214333-17-1 |
| Catalog Number | AG019CSM(AGN-PC-07QVTK) |
| Chemical Name | 2-(Difluoromethyl)-4-fluoro-1-nitrobenzene |
| IUPAC Name | 2-(difluoromethyl)-4-fluoro-1-nitrobenzene |
| InChI | InChI=1S/C7H4F3NO2/c8-4-1-2-6(11(12)13)5(3-4)7(9)10/h1-3,7H |
| InChI Key | ADBUIWGABVQONJ-UHFFFAOYSA-N |
| MDL Number | MFCD14698664 |
| Molecular Formula | C7H4F3NO2 |
| Molecular Weight | 191.1074 |
| SMILES | C1=CC(=C(C=C1F)C(F)F)[N+](=O)[O-] |
| Synonyms | 2-(DIFLUOROMETHYL)-4-FLUORO-1-NITROBENZENE,
1214333-17-1,
SCHEMBL2318383,
CTK7B8639,
ADBUIWGABVQONJ-UHFFFAOYSA-N,
1130AD,
BBL101347,
STL555143,
ZINC47203492,
AKOS005258242,
AJ-110732,
TR-071170,
X-4315,
C7H4F3NO2,
|
| Complexity | 195 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.109g/mol |
| Monoisotopic Mass | 191.019g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number