| CAS Number | 42096-74-2 |
| Catalog Number | AG00D751(AGN-PC-0WRA18) |
| Chemical Name | 1,2,4-Trifluoro-3-nitrobenzene |
| EC Number | 255-656-2 |
| IUPAC Name | 1,2,4-trifluoro-3-nitrobenzene |
| InChI | InChI=1S/C6H2F3NO2/c7-3-1-2-4(8)6(5(3)9)10(11)12/h1-2H |
| InChI Key | FJIILSCVSZJKCV-UHFFFAOYSA-N |
| MDL Number | MFCD28801811 |
| Molecular Formula | C6H2F3NO2 |
| Molecular Weight | 177.0808 |
| SMILES | [O-][N+](C1=C(F)C(F)=CC=C1F)=O |
| Synonyms | 1,2,4-Trifluoro-3-nitrobenzene,
42096-74-2,
EINECS 255-656-2,
AC1MI2RJ,
m-nitrobenzene trifluoride,
1,3,4-trifluoronitrobenzene,
SCHEMBL1340438,
CTK4I5703,
DTXSID20194930,
FJIILSCVSZJKCV-UHFFFAOYSA-N,
Benzene,1,2,4-trifluoro-3-nitro-,
ZINC33506637,
C6-H2-F3-N-O2,
CID3016321,
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| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.082g/mol |
| Monoisotopic Mass | 177.004g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number