| CAS Number | 910301-32-5 |
| Catalog Number | AG00IGEK(AGN-PC-0BGIC4) |
| Chemical Name | 1,3-Difluoro-5-(4-nitrophenyl)benzene |
| IUPAC Name | 1,3-difluoro-5-(4-nitrophenyl)benzene |
| InChI | InChI=1S/C12H7F2NO2/c13-10-5-9(6-11(14)7-10)8-1-3-12(4-2-8)15(16)17/h1-7H |
| InChI Key | FQUXUZXTMUTJEE-UHFFFAOYSA-N |
| MDL Number | MFCD20529498 |
| Molecular Formula | C12H7F2NO2 |
| Molecular Weight | 235.1863 |
| SMILES | Fc1cc(cc(c1)F)c1ccc(cc1)[N+](=O)[O-] |
| Synonyms | 1,3-Difluoro-5-(4-nitrophenyl)benzene,
910301-32-5,
ACMC-209r7z,
CTK8B2667,
DTXSID20718397,
ANW-39549,
MFCD20529498,
ZINC74937839,
3,5-Difluoro-4'-nitro-1,1'-biphenyl,
1,1'-Biphenyl, 3,5-difluoro-4'-nitro-,
TC-128294,
V8958,
B-8517,
C12H7F2NO2,
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| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.19g/mol |
| Monoisotopic Mass | 235.044g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number