- InChI
- InChI=1S/C17H12ClF3N2O/c18-12-6-7-14-13(8-12)16(11-4-2-1-3-5-11)22-9-15(24)23(14)10-17(19,20)21/h1-8H,9-10H2
- InChI Key
- WYCLKVQLVUQKNZ-UHFFFAOYSA-N
- Formula
- C17H12ClF3N2O
- SMILES
-
O=C1CN=C(c2ccccc2)c2cc(Cl)ccc2
N1CC(F)(F)F - Molecular Weight1
- 352.74
- CAS
- 23092-17-3
- Other Names
-
- 2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-5-phenyl-1-(2,2,2-trifluoroethyl)-
- 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-phenyl-1-(2,2,2-trifluoroethyl)-
- 7-Chloro-1,3-dihydro-5-phenyl-1-(2,2,2-trifluoroethyl)-2H-1,4-benzodiazepin-2-one
- ScH 12041
- Schering 12041
- Paxipam
- 7-Chloro-5-phenyl-1-(2,2,2-trifluoroethyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one
- Halezepam
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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).
- Inp : Non-polar retention indices.
- 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 | 0.6582 | Relay (1.0) Calculated Property | |
| ΔfG° | -335.92 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -559.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 100.01 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.23 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.52 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.086 | Crippen Calculated Property | |
| McVol | 226.790 | ml/mol | McGowan Calculated Property |
| Pc | 1826.80 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2292.00; 2337.10] |
|
|
| Inp | 2292.00 | NIST | |
| Inp | 2314.00 | NIST | |
| Inp | 2292.00 | NIST | |
| Inp | 2335.00 | NIST | |
| Inp | 2335.00 | NIST | |
| Inp | 2337.10 | NIST | |
| Inp | 2335.00 | NIST | |
| Inp | 2314.00 | NIST | |
| Inp | 2314.00 | NIST | |
| Inp | 2337.10 | NIST | |
| Inp | 2292.00 | NIST | |
| Tboil | 686.35 | K | Relay (1.0) Calculated Property |
| Tc | 953.46 | K | Relay (1.0) Calculated Property |
| Tfus | 394.61 | K | Relay (1.0) Calculated Property |
| Vc | 0.792 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Halazepam.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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