| CAS Number | 1019996-86-1 |
| Catalog Number | AG00067Q(AGN-PC-0D4WHQ) |
| Chemical Name | 1-Nitro-4-[4-(trifluoromethoxy)phenyl]benzene |
| IUPAC Name | 1-nitro-4-[4-(trifluoromethoxy)phenyl]benzene |
| InChI | InChI=1S/C13H8F3NO3/c14-13(15,16)20-12-7-3-10(4-8-12)9-1-5-11(6-2-9)17(18)19/h1-8H |
| InChI Key | ANTKACMMIPBFAY-UHFFFAOYSA-N |
| MDL Number | MFCD21609608 |
| Molecular Formula | C13H8F3NO3 |
| Molecular Weight | 283.2027 |
| SMILES | [O-][N+](=O)c1ccc(cc1)c1ccc(cc1)OC(F)(F)F |
| Synonyms | 1-Nitro-4-[4-(trifluoromethoxy)phenyl]benzene,
1019996-86-1,
ACMC-2097y4,
SCHEMBL1242136,
CTK8A9022,
DTXSID50733093,
ANTKACMMIPBFAY-UHFFFAOYSA-N,
ANW-14570,
MFCD21609608,
ZINC85471730,
4-nitro-4'-(trifluoromethoxy)biphenyl,
AKOS025293969,
TC-103315,
Z6438,
4-Nitro-4'-(trifluoromethoxy)-1,1'-biphenyl,
K-0274,
1,1'-Biphenyl, 4-nitro-4'-(trifluoromethoxy)-,
C13H8F3NO3,
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| Complexity | 327 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.206g/mol |
| Monoisotopic Mass | 283.046g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number