| CAS Number | 887412-09-1 |
| Catalog Number | AG00GTHC(AGN-PC-0VNPIG) |
| Chemical Name | 4-DIFLUOROMETHOXY-2-NITRO-ANILINE |
| IUPAC Name | 4-(difluoromethyl)-2-nitroaniline |
| InChI | InChI=1S/C7H6F2N2O2/c8-7(9)4-1-2-5(10)6(3-4)11(12)13/h1-3,7H,10H2 |
| InChI Key | NRKZQNBCOSAMIZ-UHFFFAOYSA-N |
| MDL Number | MFCD09037370 |
| Molecular Formula | C7H6F2N2O2 |
| Molecular Weight | 188.1315 |
| SMILES | NC1=CC=C(C(F)F)C=C1[N+]([O-])=O |
| Synonyms | 4-(difluoromethyl)-2-nitroaniline,
887412-09-1,
ZINC8700322,
AKOS027196626,
Z2230911831,
4-difluoromethoxy-2-nitro-aniline,
|
| Complexity | 195 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.134g/mol |
| Monoisotopic Mass | 188.04g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 71.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number