-
Name
6-BROMOIMIDAZO[1,2-A]PYRIDINE-3-CARBALDEHYDE
- EINECS
- CAS No. 30384-96-4
- Article Data8
- CAS DataBase
- Density 1.73 g/cm3
- Solubility
- Melting Point
- Formula C8H5BrN2O
- Boiling Point
- Molecular Weight 225.044
- Flash Point
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 6-Bromoimidazo[1,2-a]pyridine-3-carboxaldehyde;
- PSA 34.37000
- LogP 1.90930
6-Bromoimidazo[1,2-a]pyridine-3-carbaldehyde Specification
The Systematic name about this chemical is 6-bromoimidazo[1,2-a]pyridine-3-carbaldehyde. The cas register number of 6-Bromoimidazo[1,2-a]pyridine-3-carbaldehyde is 30384-96-4. It also can be called as Imidazo[1,2-a]pyridine-3-carboxaldehyde, 6-bromo-.
Physical properties about 6-Bromoimidazo[1,2-a]pyridine-3-carbaldehyde are: (1)ACD/LogP: 1.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.94; (4)ACD/LogD (pH 7.4): 1.94; (5)ACD/BCF (pH 5.5): 17.47; (6)ACD/BCF (pH 7.4): 17.49; (7)ACD/KOC (pH 5.5): 269.65; (8)ACD/KOC (pH 7.4): 269.89; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 34.37Å2; (13)Index of Refraction: 1.693; (14)Molar Refractivity: 49.73 cm3; (15)Molar Volume: 129.5 cm3; (16)Surface Tension: 57.4 dyne/cm; (17)Density: 1.73 g/cm3.
People can use the following data to convert to the molecule structure.
1.SMILES: O=Cc1cnc2ccc(Br)cn12
2.InChI: InChI=1/C8H5BrN2O/c9-6-1-2-8-10-3-7(5-12)11(8)4-6/h1-5H
3.InChIKey: LBCRSOFJVLOCIK-UHFFFAOYAA
4.Std. InChI: InChI=1S/C8H5BrN2O/c9-6-1-2-8-10-3-7(5-12)11(8)4-6/h1-5H
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