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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
Names and Synonyms:
Norfloxacin Hydrochloride
3-Quinolinecarboxylic acid, 1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-, hydrochloride (1:?)
3-Quinolinecarboxylic acid, 1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-, hydrochloride
Norfloxacin hydrochloride
Identifiers:
SMILES:
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21.Cl
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
Key Properties
Melting Point
220 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 355.80 g/mol | CAS Common Chemistry |
| 355.79699999999997 g/mol | RDKit | |
| 355.109897368 g/mol | RDKit | |
| 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 |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 74.57000000000001 Ų | RDKit |
| LogP | 1.6901 | RDKit |
| Molar Refractivity | 93.13000000000002 | RDKit |
