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Molecule
2,4-Difluoro-6-Nitrobenzenamine
CAS: 364-30-7 · C6H4F2N2O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 364-30-7
- Molecular Formula
- C6H4F2N2O2
- Molecular Mass
- 174.11 g/mol
Identifiers
CAS Registry Number
364-30-7
SMILES
Nc1c(F)cc(F)cc1[N+](=O)[O-]
InChI Key
WPEUQAOOZXFRKZ-UHFFFAOYSA-N
InChI
InChI=1S/C6H4F2N2O2/c7-3-1-4(8)6(9)5(2-3)10(11)12/h1-2H,9H2
Names and Synonyms
- 2,4-Difluoro-6-Nitrobenzenamine Systematic Name
- Benzenamine, 2,4-difluoro-6-nitro- Synonym
- Aniline, 2,4-difluoro-6-nitro- Synonym
- 2,4-Difluoro-6-nitrobenzenamine Synonym
- 2,4-Difluoro-6-nitroaniline Synonym
- 2-Amino-3,5-difluoronitrobenzene Synonym
- NSC 81335 Synonym
- (2,4-Difluoro-6-nitrophenyl)amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 174.11 g/mol | CAS Common Chemistry |
| 174.106 g/mol | RDKit | |
| Canonical SMILES | O=N(=O)C=1C=C(F)C=C(F)C1N | CAS Common Chemistry |
| InChI | InChI=1S/C6H4F2N2O2/c7-3-1-4(8)6(9)5(2-3)10(11)12/h1-2H,9H2 | CAS Common Chemistry |
| InChI Key | InChIKey=WPEUQAOOZXFRKZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 85.5-86.5 °C (sublm) @ Solvent: Ethanol | CAS Common Chemistry |
| Name | 2,4-Difluoro-6-nitrobenzenamine | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 69.16 Ų | RDKit |
| 64.32 Ų | chempirical lib | |
| LogP | 1.4552 | RDKit |
| Molar Refractivity | 37.424800000000005 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 174.024083808 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 174.11 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H4F2N2O2.
