- InChI
- InChI=1S/C15H10ClFN2O2/c16-8-5-6-12-10(7-8)13(19-15(21)14(20)18-12)9-3-1-2-4-11(9)17/h1-7,15,21H,(H,18,20)
- InChI Key
- FERBACJQVQVCKH-UHFFFAOYSA-N
- Formula
- C15H10ClFN2O2
- SMILES
-
O=C1Nc2ccc(Cl)cc2C(c2ccccc2F)=
NC1O - Molecular Weight1
- 304.70
- CAS
- 17617-60-6
- Other Names
-
- 2H-1,4-Benzodiazepin-2-one, 7-chloro-5-(2-fluorophenyl)-1,3-dihydro-3-hydroxy-
- 1,3-Dihydro-7-chloro-5-(o-fluorophenyl)-3-hydroxy-2H-1,4-benzodiazepin-2-one
- OX 164F
- RO 7-5205
- 2H-1,4-Benzodiazepin-2-one, 7-chloro-5-(o-fluorophenyl)-1,3-dihydro-3-hydroxy-
- N-Desalkyl-3-hydroxyflurazepam
- 7-Chloro-5-(2-fluorophenyl)-3-hydroxy-1,3-dihydro-2H-1,4-benzodiazepin-2-one
- Flurazepam, (N-1-des-alkyl, 3-hydroxy)
- N-1-Desalkyl-3-hydroxyflurazepam
- CM 40095
- 3-hydroxy-N-desalkyl-2-oxoquazepam
- Flurazepam M (N-1-des-alkyl, 3-hydroxy)
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.7540 | Relay (1.0) Calculated Property | |
| ΔfG° | 66.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -307.89 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 122.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.18 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.32 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.587 | Crippen Calculated Property | |
| McVol | 200.940 | ml/mol | McGowan Calculated Property |
| Pc | 3195.54 | kPa | Joback Calculated Property |
| Tboil | 651.72 | K | Relay (1.0) Calculated Property |
| Tc | 1047.42 | K | Relay (1.0) Calculated Property |
| Tfus | 482.74 | K | Relay (1.0) Calculated Property |
| Vc | 0.705 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [600.31; 632.02] | J/mol×K | [929.27; 1185.50] | 
|
| Cp,gas | 600.31 | J/mol×K | 929.27 | Joback Calculated Property |
| Cp,gas | 609.70 | J/mol×K | 971.97 | Joback Calculated Property |
| Cp,gas | 617.46 | J/mol×K | 1014.68 | Joback Calculated Property |
| Cp,gas | 623.59 | J/mol×K | 1057.38 | Joback Calculated Property |
| Cp,gas | 628.06 | J/mol×K | 1100.09 | Joback Calculated Property |
| Cp,gas | 630.88 | J/mol×K | 1142.79 | Joback Calculated Property |
| Cp,gas | 632.02 | J/mol×K | 1185.50 | Joback Calculated Property |
Similar Compounds
Sources
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