- InChI
- InChI=1S/C11H10BrN3/c1-8-11(14-6-5-13-8)15-10-4-2-3-9(12)7-10/h2-7H,1H3,(H,14,15)
- InChI Key
- HMRYQYFCVVDVFT-UHFFFAOYSA-N
- Formula
- C11H10BrN3
- SMILES
- Cc1nccnc1Nc1cccc(Br)c1
- Molecular Weight1
- 264.12
- CAS
- 92847-27-3
- 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).
- 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 | 0.5408 | Relay (1.0) Calculated Property | |
| ΔfG° | 336.35 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 254.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 92.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.54 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.291 | Crippen Calculated Property | |
| McVol | 165.770 | ml/mol | McGowan Calculated Property |
| Pc | 5884.57 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 631.80 | K | Relay (1.0) Calculated Property |
| Tc | 934.44 | K | Relay (1.0) Calculated Property |
| Tfus | 404.54 | K | Relay (1.0) Calculated Property |
| Vc | 0.582 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-(M-bromoanilino)-3-methyl pyrazine.
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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