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Molecule
Desalkylflurazepam
CAS: 2886-65-9 · C15H10ClFN2O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2886-65-9
- Molecular Formula
- C15H10ClFN2O
- Molecular Mass
- 288.71 g/mol
Identifiers
CAS Registry Number
2886-65-9
SMILES
OC1=Nc2ccc(Cl)cc2C(c2ccccc2F)=NC1
InChI Key
UVCOILFBWYKHHB-UHFFFAOYSA-N
InChI
InChI=1S/C15H10ClFN2O/c16-9-5-6-13-11(7-9)15(18-8-14(20)19-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,19,20)
Names and Synonyms
- Desalkylflurazepam Common Name
- 2H-1,4-Benzodiazepin-2-one, 7-chloro-5-(2-fluorophenyl)-1,3-dihydro- Synonym
- 7-Chloro-5-(2′-fluorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one Synonym
- Ro 5-3367 Synonym
- Norfludiazepam Synonym
- CM 7116 Synonym
- N-Desalkylflutoprazepam Synonym
- N-Desalkyl-2-oxoquazepam Synonym
- Dealkylflurazepam Synonym
- Desalkylflurazepam Synonym
- Descarbethoxyloflazepate Synonym
- Sch 17514 Synonym
- Norflutoprazepam Synonym
- 7-Chloro-1,3-dihydro-5-(2′-fluorophenyl)-2H-1,4-benzodiazapin-2-one Synonym
- Norflurazepam Synonym
- 2H-1,4-Benzodiazepin-2-one, 7-chloro-5-(o-fluorophenyl)-1,3-dihydro- Synonym
- 7-Chloro-5-(2-fluorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one Synonym
- N-1-Desalkylflurazepam Synonym
- 7-Chloro-5-(o-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one Synonym
- 7-Chloro-5-(o-fluorophenyl)-1,3-dihydro-2H-1,4-benzodiazepine-2-one Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 288.71 g/mol | CAS Common Chemistry |
| 288.70900000000006 g/mol | RDKit | |
| 288.709 g/mol | RDKit | |
| 288.706 g/mol | chempirical lib | |
| Canonical SMILES | O=C1NC=2C=CC(Cl)=CC2C(=NC1)C=3C=CC=CC3F | CAS Common Chemistry |
| InChI | InChI=1S/C15H10ClFN2O/c16-9-5-6-13-11(7-9)15(18-8-14(20)19-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,19,20) | CAS Common Chemistry |
| InChI Key | InChIKey=UVCOILFBWYKHHB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 205-206 °C | CAS Common Chemistry |
| Name | Desalkylflurazepam | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 44.95 Ų | RDKit |
| LogP | 3.9181000000000017 | RDKit |
| 3.9181 | RDKit | |
| Molar Refractivity | 78.08180000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0667 | RDKit |
| 0.07 | chempirical lib | |
| Exact Mass | 288.04656884 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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.
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MW = 288.71 g/mol. Edit any field — others recompute live.
