| CAS Number | 194874-02-7 |
| Catalog Number | AG00AQJC(AGN-PC-0N9LDT) |
| Chemical Name | 1-(3-Nitrophenyl)-3-(trifluoromethyl)benzene |
| IUPAC Name | 1-(3-nitrophenyl)-3-(trifluoromethyl)benzene |
| InChI | InChI=1S/C13H8F3NO2/c14-13(15,16)11-5-1-3-9(7-11)10-4-2-6-12(8-10)17(18)19/h1-8H |
| InChI Key | MNRHYFIIKHIWET-UHFFFAOYSA-N |
| MDL Number | MFCD21609587 |
| Molecular Formula | C13H8F3NO2 |
| Molecular Weight | 267.2033 |
| SMILES | [O-][N+](=O)c1cccc(c1)c1cccc(c1)C(F)(F)F |
| Synonyms | 1-(3-nitrophenyl)-3-(trifluoromethyl)benzene,
194874-02-7,
ACMC-209eyr,
CTK8B1109,
DTXSID90444116,
ANW-23665,
MFCD21609587,
ZINC85479074,
3-Nitro-3'-(trifluoromethyl)biphenyl,
AKOS025294825,
TC-112410,
V4083,
C13H8F3NO2,
CID10730524,
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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 | 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 | 4.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number