| CAS Number | 63878-71-7 |
| Catalog Number | AG01C0F9(AGN-PC-03EMXE) |
| Chemical Name | 2-(Difluoromethyl)-1-Fluoro-4-Nitrobenzene |
| IUPAC Name | 2-(difluoromethyl)-1-fluoro-4-nitrobenzene |
| InChI | InChI=1S/C7H4F3NO2/c8-6-2-1-4(11(12)13)3-5(6)7(9)10/h1-3,7H |
| InChI Key | VXIMQWWMIPNFEO-UHFFFAOYSA-N |
| MDL Number | MFCD14698657 |
| Molecular Formula | C7H4F3NO2 |
| Molecular Weight | 191.1074 |
| SMILES | c1cc(c(cc1N(=O)=O)C(F)F)F |
| Synonyms | 2-(Difluoromethyl)-1-fluoro-4-nitrobenzene,
63878-71-7,
SCHEMBL1030342,
SCHEMBL12956324,
DTXSID80617534,
VXIMQWWMIPNFEO-UHFFFAOYSA-N,
ZINC47203479,
2-difluoromethyl-1-fluoro-4-nitro-benzene,
Benzene, 2-(difluoromethyl)-1-fluoro-4-nitro-,
A1-01496,
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| 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
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Certificate of Analysis
Lot Number