- InChI
- InChI=1S/C14H11BrN2O2/c1-9(18)17-12-6-5-10(15)8-11(12)14(19)13-4-2-3-7-16-13/h2-8H,1H3,(H,17,18)
- InChI Key
- GROKCASTURVYLG-UHFFFAOYSA-N
- Formula
- C14H11BrN2O2
- SMILES
-
CC(=O)Nc1ccc(Br)cc1C(=O)c1cccc
n1 - Molecular Weight1
- 319.15
- 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 | 0.6902 | Relay (1.0) Calculated Property | |
| ΔfG° | 58.91 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -106.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 104.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.45 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.60 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.033 | Crippen Calculated Property | |
| McVol | 201.200 | ml/mol | McGowan Calculated Property |
| Pc | 3404.63 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2490.00; 2490.00] |
|
|
| Inp | 2490.00 | NIST | |
| Inp | 2490.00 | NIST | |
| Inp | 2490.00 | NIST | |
| Tboil | 661.17 | K | Relay (1.0) Calculated Property |
| Tc | 978.20 | K | Relay (1.0) Calculated Property |
| Tfus | 407.34 | K | Relay (1.0) Calculated Property |
| Vc | 0.702 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Bromazepam M (3-hydroxy-), hydrolysis, acetylated.
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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