| CAS Number | 1214326-22-3 |
| Catalog Number | AG019CRS(AGN-PC-0WBS0J) |
| Chemical Name | 2-(Difluoromethoxy)-3-fluoronitrobenzene |
| IUPAC Name | 2-(difluoromethoxy)-1-fluoro-3-nitrobenzene |
| InChI | InChI=1S/C7H4F3NO3/c8-4-2-1-3-5(11(12)13)6(4)14-7(9)10/h1-3,7H |
| InChI Key | IJEQFBATOJWEGM-UHFFFAOYSA-N |
| MDL Number | MFCD14698445 |
| Molecular Formula | C7H4F3NO3 |
| Molecular Weight | 207.1068 |
| SMILES | O=[N+](C1=C(OC(F)F)C(F)=CC=C1)[O-] |
| Synonyms | 1214326-22-3,
2-(Difluoromethoxy)-3-fluoronitrobenzene,
2-(Difluoromethoxy)-1-fluoro-3-nitro-benzene,
1123AD,
MFCD14698445,
ZINC47203257,
2-Difluoromethoxy-3-fluoronitrobenzene,
AKOS016016196,
FCH1387102,
PC501882,
PS-10514,
C7H4F3NO3,
|
| Complexity | 209 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.014g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.108g/mol |
| Monoisotopic Mass | 207.014g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number