| CAS Number | 82571-93-5 |
| Catalog Number | AG005CSK(AGN-PC-001WRG) |
| Chemical Name | (4-Fluoro-3-nitrophenyl)(phenyl)methanone |
| IUPAC Name | (4-fluoro-3-nitrophenyl)-phenylmethanone |
| InChI | InChI=1S/C13H8FNO3/c14-11-7-6-10(8-12(11)15(17)18)13(16)9-4-2-1-3-5-9/h1-8H |
| InChI Key | VMOPTVOBYACSJN-UHFFFAOYSA-N |
| MDL Number | MFCD22574935 |
| Molecular Formula | C13H8FNO3 |
| Molecular Weight | 245.2059 |
| SMILES | O=C(c1ccc(c(c1)[N+](=O)[O-])F)c1ccccc1 |
| Synonyms | (4-FLUORO-3-NITROPHENYL)(PHENYL)METHANONE,
82571-93-5,
Methanone, (4-fluoro-3-nitrophenyl)phenyl-,
SCHEMBL7497537,
CTK3D8215,
DTXSID20561946,
VMOPTVOBYACSJN-UHFFFAOYSA-N,
KM3577,
ZINC34327172,
AKOS024438823,
(4-fluoro-3-nitrophenyl) phenylmethanone,
V7884,
C13H8FNO3,
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| Complexity | 323 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.209g/mol |
| Monoisotopic Mass | 245.049g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 62.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number