| CAS Number | 346-99-6 |
| Catalog Number | AG00CLO2(AGN-PC-00JTFX) |
| Chemical Name | 1-(4-Nitrophenyl)-3-(trifluoromethyl)benzene |
| IUPAC Name | 1-(4-nitrophenyl)-3-(trifluoromethyl)benzene |
| InChI | InChI=1S/C13H8F3NO2/c14-13(15,16)11-3-1-2-10(8-11)9-4-6-12(7-5-9)17(18)19/h1-8H |
| InChI Key | GZNKLBNXFDXRRQ-UHFFFAOYSA-N |
| MDL Number | MFCD20529494 |
| Molecular Formula | C13H8F3NO2 |
| Molecular Weight | 267.2033 |
| SMILES | [O-][N+](=O)c1ccc(cc1)c1cccc(c1)C(F)(F)F |
| Synonyms | 346-99-6,
4'-Nitro-3-(trifluoromethyl)-1,1'-biphenyl,
1-(4-Nitrophenyl)-3-(trifluoromethyl)benzene,
ACMC-209i9r,
CTK8B1508,
DTXSID10511672,
ANW-27949,
MFCD20529494,
ZINC74937835,
AKOS016001106,
AJ-121465,
AX8239805,
TC-116694,
ST24023015,
V5358,
C13H8F3NO2,
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| Complexity | 319 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.207g/mol |
| Monoisotopic Mass | 267.051g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number