| CAS Number | 1352318-59-2 |
| Catalog Number | AG006ZAE(AGN-PC-0BGIBZ) |
| Chemical Name | 2-Fluoro-1-methyl-4-(4-nitrophenyl)benzene |
| IUPAC Name | 2-fluoro-1-methyl-4-(4-nitrophenyl)benzene |
| InChI | InChI=1S/C13H10FNO2/c1-9-2-3-11(8-13(9)14)10-4-6-12(7-5-10)15(16)17/h2-8H,1H3 |
| InChI Key | WBYVPGCJHRCXAB-UHFFFAOYSA-N |
| MDL Number | MFCD20529490 |
| Molecular Formula | C13H10FNO2 |
| Molecular Weight | 231.2224 |
| SMILES | [O-][N+](=O)c1ccc(cc1)c1ccc(c(c1)F)C |
| Synonyms | 2-Fluoro-1-methyl-4-(4-nitrophenyl)benzene,
1352318-59-2,
ACMC-209bzj,
CTK8B0325,
DTXSID20718392,
ANW-19805,
MFCD20529490,
ZINC74937830,
AKOS025294374,
TC-108550,
3-Fluoro-4-methyl-4'-nitro-1,1'-biphenyl,
Z9889,
B-8511,
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