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Molecule
Norfloxacin Hydrochloride
CAS: 104142-93-0 · C16H19ClFN3O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 104142-93-0
- Molecular Formula
- C16H19ClFN3O3
- Molecular Mass
- 355.80 g/mol
Identifiers
CAS Registry Number
104142-93-0
SMILES
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21.Cl
InChI Key
JJWDELPVPRCLQN-UHFFFAOYSA-N
InChI
InChI=1S/C16H18FN3O3.ClH/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20;/h7-9,18H,2-6H2,1H3,(H,22,23);1H
Names and Synonyms
- Norfloxacin Hydrochloride Common Name
- 3-Quinolinecarboxylic acid, 1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-, hydrochloride (1:?) Synonym
- 3-Quinolinecarboxylic acid, 1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-, hydrochloride Synonym
- Norfloxacin hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 355.80 g/mol | CAS Common Chemistry |
| 355.79699999999997 g/mol | RDKit | |
| 355.797 g/mol | RDKit | |
| 355.794 g/mol | chempirical lib | |
| Canonical SMILES | Cl.O=C(O)C1=CN(C2=CC(=C(F)C=C2C1=O)N3CCNCC3)CC | CAS Common Chemistry |
| InChI | InChI=1S/C16H18FN3O3.ClH/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20;/h7-9,18H,2-6H2,1H3,(H,22,23);1H | CAS Common Chemistry |
| InChI Key | InChIKey=JJWDELPVPRCLQN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 220 °C | CAS Common Chemistry |
| Name | Norfloxacin hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| 4 | RDKit | |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 74.57000000000001 Ų | RDKit |
| 74.57 Ų | RDKit | |
| 81.41 Ų | chempirical lib | |
| LogP | 1.6901 | RDKit |
| Molar Refractivity | 93.13000000000002 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.375 | RDKit |
| 0.38 | chempirical lib | |
| Exact Mass | 355.109897368 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 355.80 g/mol. Edit any field — others recompute live.
