| CAS Number | 865856-72-0 |
| Catalog Number | AG004LER(AGN-PC-00E53H) |
| Chemical Name | 1,3-Difluoro-5-(3-nitrophenyl)benzene |
| IUPAC Name | 1,3-difluoro-5-(3-nitrophenyl)benzene |
| InChI | InChI=1S/C12H7F2NO2/c13-10-4-9(5-11(14)7-10)8-2-1-3-12(6-8)15(16)17/h1-7H |
| InChI Key | JNGTYJUVIDNFBX-UHFFFAOYSA-N |
| MDL Number | MFCD21332992 |
| Molecular Formula | C12H7F2NO2 |
| Molecular Weight | 235.1863 |
| SMILES | Fc1cc(F)cc(c1)c1cccc(c1)[N+](=O)[O-] |
| Synonyms | 1,3-difluoro-5-(3-nitrophenyl)benzene,
865856-72-0,
ACMC-209qah,
SCHEMBL13917956,
CTK8B2483,
DTXSID50470618,
ANW-38343,
MFCD21332992,
ZINC38247186,
TC-127088,
V8210,
B-8554,
C12H7F2NO2,
CID11687302,
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| Complexity | 272 |
| 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 | 4.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number