| CAS Number | 80254-72-4 |
| Catalog Number | AG005N9E(AGN-PC-0BPX5A) |
| Chemical Name | 1-Fluoro-3-(3-nitrophenyl)benzene |
| IUPAC Name | 1-(3-fluorophenyl)-3-nitrobenzene |
| InChI | InChI=1S/C12H8FNO2/c13-11-5-1-3-9(7-11)10-4-2-6-12(8-10)14(15)16/h1-8H |
| InChI Key | BNFWFXBOZUJOLN-UHFFFAOYSA-N |
| MDL Number | MFCD21332987 |
| Molecular Formula | C12H8FNO2 |
| Molecular Weight | 217.1958 |
| SMILES | Fc1cccc(c1)c1cccc(c1)[N+](=O)[O-] |
| Synonyms | 1-Fluoro-3-(3-nitrophenyl)benzene,
80254-72-4,
ACMC-209pj7,
3'-fluoro-3-nitrobiphenyl,
SCHEMBL14782125,
CTK8B2340,
DTXSID30720608,
BNFWFXBOZUJOLN-UHFFFAOYSA-N,
3-Fluoro-3'-nitro-1,1'-biphenyl,
ANW-37361,
MFCD21332987,
ZINC80772480,
TC-126106,
V7827,
B-8551,
C12H8FNO2,
1-(3-fluorophenyl)-3-nitrobenzene,
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| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.199g/mol |
| Monoisotopic Mass | 217.054g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number