| CAS Number | 1373232-66-6 |
| Catalog Number | AG00134L(AGN-PC-0J2C9G) |
| Chemical Name | 4-Fluoro-3-(4-nitrophenyl)toluene |
| IUPAC Name | 1-fluoro-4-methyl-2-(4-nitrophenyl)benzene |
| InChI | InChI=1S/C13H10FNO2/c1-9-2-7-13(14)12(8-9)10-3-5-11(6-4-10)15(16)17/h2-8H,1H3 |
| InChI Key | DFLMFVBMAZNQQI-UHFFFAOYSA-N |
| MDL Number | MFCD22192483 |
| Molecular Formula | C13H10FNO2 |
| Molecular Weight | 231.2224 |
| SMILES | Cc1ccc(c(c1)c1ccc(cc1)[N+](=O)[O-])F |
| Synonyms | 4-Fluoro-3-(4-nitrophenyl)toluene,
1373232-66-6,
ACMC-209cbk,
CTK8B0606,
DTXSID90742942,
ANW-20238,
MFCD22192483,
ZINC85477153,
AKOS026673024,
TC-108983,
2-Fluoro-5-methyl-4'-nitro-1,1'-biphenyl,
V2692,
B-8636,
1,1'-Biphenyl, 2-fluoro-5-methyl-4'-nitro-,
C13H10FNO2,
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| Complexity | 271 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.226g/mol |
| Monoisotopic Mass | 231.07g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number