Basic Information | Post buying leads | Suppliers |
Name |
4-Bromo-1-methyl-1H-benzo[d]imidazole-2-carbaldehyde |
EINECS | N/A |
CAS No. | 958863-76-8 | Density | 1.65 g/cm3 |
PSA | 34.89000 | LogP | 2.14830 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H7BrN2O | Boiling Point | 389.148 °C at 760 mmHg |
Molecular Weight | 239.071 | Flash Point | 189.15 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
LogP |
The 4-Bromo-1-methyl-1H-benzo[d]imidazole-2-carbaldehyde with cas registry number of 958863-76-8, has the systematic name of 4-bromo-1-methyl-benzimidazole-2-carbaldehyde.
Physical properties about this chemical are: (1)ACD/LogP: 2.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.245; (4)ACD/LogD (pH 7.4): 2.245; (5)ACD/BCF (pH 5.5): 29.944; (6)ACD/BCF (pH 7.4): 29.957; (7)ACD/KOC (pH 5.5): 396.553; (8)ACD/KOC (pH 7.4): 396.725; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 34.89 Å2; (13)Index of Refraction: 1.671; (14)Molar Refractivity: 54.155 cm3; (15)Molar Volume: 144.872 cm3; (16)Polarizability: 21.469×10-24cm3; (17)Surface Tension: 51.355 dyne/cm; (18)Enthalpy of Vaporization: 63.845 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cn1c2cccc(c2nc1C=O)Br;
(2)InChI: InChI=1/C9H7BrN2O/c1-12-7-4-2-3-6(10)9(7)11-8(12)5-13/h2-5H,1H3;
(3)InChIKey: ASNYHGBIYZZGDU-UHFFFAOYAL;
(4)Std. InChI: InChI=1S/C9H7BrN2O/c1-12-7-4-2-3-6(10)9(7)11-8(12)5-13/h2-5H,1H3;
(5)Std. InChIKey: ASNYHGBIYZZGDU-UHFFFAOYSA-N