| CAS Number | 904325-90-2 |
| Catalog Number | AG006Q43(AGN-PC-0BGIC5) |
| Chemical Name | 2-Chloro-1-fluoro-4-(4-nitrophenyl)benzene |
| IUPAC Name | 2-chloro-1-fluoro-4-(4-nitrophenyl)benzene |
| InChI | InChI=1S/C12H7ClFNO2/c13-11-7-9(3-6-12(11)14)8-1-4-10(5-2-8)15(16)17/h1-7H |
| InChI Key | WWKOZBKPAFNDSX-UHFFFAOYSA-N |
| MDL Number | MFCD20529499 |
| Molecular Formula | C12H7ClFNO2 |
| Molecular Weight | 251.6409 |
| SMILES | [O-][N+](=O)c1ccc(cc1)c1ccc(c(c1)Cl)F |
| Synonyms | 2-Chloro-1-fluoro-4-(4-nitrophenyl)benzene,
904325-90-2,
ACMC-209r67,
CTK8B2657,
DTXSID80718398,
ANW-39485,
MFCD20529499,
ZINC74937840,
AKOS025295898,
TC-128230,
3-Chloro-4-fluoro-4'-nitro-1,1'-biphenyl,
V8915,
B-8518,
C12H7ClFNO2,
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| Complexity | 276 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.641g/mol |
| Monoisotopic Mass | 251.015g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number