| CAS Number | 882068-89-5 |
| Catalog Number | AG00IF0G(AGN-PC-03ESFX) |
| Chemical Name | 2-Nitro-3,4,5-trifluoroaniline |
| IUPAC Name | 3,4,5-trifluoro-2-nitroaniline |
| InChI | InChI=1S/C6H3F3N2O2/c7-2-1-3(10)6(11(12)13)5(9)4(2)8/h1H,10H2 |
| InChI Key | AZHUGULFZXJYAR-UHFFFAOYSA-N |
| MDL Number | MFCD20036244 |
| Molecular Formula | C6H3F3N2O2 |
| Molecular Weight | 192.0954 |
| SMILES | Nc1cc(F)c(F)c(F)c1[N+]([O-])=O |
| Synonyms | 3,4,5-trifluoro-2-nitroaniline,
2-Nitro-3,4,5-trifluoroaniline,
882068-89-5,
MFCD20036244,
ZINC71790133,
6-Amino-2,3,4-trifluoronitrobenzene,
AKOS017504300,
Benzenamine, 3,4,5-trifluoro-2-nitro-,
Y2375,
C6H3F3N2O2,
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| Complexity | 211 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.097g/mol |
| Monoisotopic Mass | 192.015g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 71.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number