-
Name
3-bromoimidazo[1,2-a]pyridine-2-carbaldehyde
- EINECS
- CAS No. 59938-40-8
- Article Data4
- CAS DataBase
- Density 1.73 g/cm3
- Solubility
- Melting Point 123-125 °C
- Formula C8H5BrN2O
- Boiling Point
- Molecular Weight 225.04
- Flash Point
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Imidazo[1,2-a]pyridine-2-carboxaldehyde, 3-bromo-
- PSA 34.37000
- LogP 1.90930
3-Bromoimidazo[1,2-a]pyridine-2-carbaldehyde Specification
The CAS registry number of Imidazo[1,2-a]pyridine-2-carboxaldehyde, 3-bromo- is 59938-40-8. Its systematic name is 3-bromoimidazo[1,2-a]pyridine-2-carbaldehyde. In addition, the molecular formula is C8H5BrN2O and the molecular weight is 225.04. What's more, it should be stored in sealed container, and put in a cool and dry place.
Physical properties about Imidazo[1,2-a]pyridine-2-carboxaldehyde, 3-bromo- are: (1)ACD/LogP: 2.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.39; (4)ACD/LogD (pH 7.4): 2.39; (5)ACD/BCF (pH 5.5): 38.57; (6)ACD/BCF (pH 7.4): 38.57; (7)ACD/KOC (pH 5.5): 475.39; (8)ACD/KOC (pH 7.4): 475.39; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 34.37 Å2; (13)Index of Refraction: 1.693; (14)Molar Refractivity: 49.73 cm3; (15)Molar Volume: 129.5 cm3; (16)Polarizability: 19.71 ×10-24cm3; (17)Surface Tension: 57.4 dyne/cm; (18)Density: 1.73 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1nc2ccccn2c1Br
(2)Std. InChI: InChI=1S/C8H5BrN2O/c9-8-6(5-12)10-7-3-1-2-4-11(7)8/h1-5H
(3)Std. InChIKey: VNMNVHMREWEMQR-UHFFFAOYSA-N
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