Cambridge id 5461570
2-[(3-chloro-4-fluoroanilino)methyl]-4-nitrophenol
Also Known As: ITB-5|Oprea1_727352|J3.250.567H|2-{[(3-CHLORO-4-FLUOROPHENYL)AMINO]METHYL}-4-NITROPHENOL|AB00085753-01|2-[(3-chloro-4-fluoroanilino)methyl]-4-nitrophenol|SR-01000209535-1|2-[(3-Chloro-4-fluoro-phenylamino)-methyl]-4-nitro-phenol|2-[[(3-Chloro-4-fluorophenyl)amino]methyl]-4-nitrophenol|2-[[(3-chloro-4-fluoro-phenyl)amino]methyl]-4-nitro-phenol
CAS: 416865-79-7
| Molecular Formula | C13H10ClFN2O3 |
|---|---|
| Molecular Weight | 296.0364 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 78.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.0364 |
| Monoisotopic Mass | 296.0364 |
| Heavy Atoms | 20 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 416865-79-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1NCC2=C(C=CC(=C2)[N+](=O)[O-])O)Cl)F |
| InChIKey | RPEIWPXKGUCCPK-UHFFFAOYSA-N |
Product Overview
Cambridge id 5461570 (CAS 416865-79-7), with molecular formula C13H10ClFN2O3 and molecular weight 296.0364 g/mol. IUPAC: 2-[(3-chloro-4-fluoroanilino)methyl]-4-nitrophenol.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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