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Name
3-BROMOIMIDAZO[1,2-A]PYRIDINE-6-CARBOXYLIC ACID
- EINECS 604-604-1
- CAS No. 886362-00-1
- Density 1.89 g/cm3
- Solubility
- Melting Point 305-308°
- Formula C8H5BrN2O2
- Boiling Point
- Molecular Weight 241.044
- Flash Point
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms 3-BROMOIMIDAZO[1,2-A]PYRIDINE-6-CARBOXYLIC ACID;2-a]pyridine-6-carboxylic acid;IMidazo[1,2-a]pyridine-6-carboxylic acid, 3-broMo-;3-BroMoiMidazo[1,2-a]pyridine-6-carboxylic acid hydrate, 95%
- PSA 54.60000
- LogP 1.79500
3-Bromoimidazo[1,2-a]pyridine-6-carboxylic acid Specification
The 3-Bromoimidazo[1,2-a]pyridine-6-carboxylic acid, with its CAS registry number 886362-00-1, has the chemical formula of C8H5BrN2O2. And its product categories are including chiral chemicals.
The characteristics of this chemical are as follows: (1)ACD/LogP: 2.02; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 43.6 ; (11)Index of Refraction: 1.728; (12)Molar Refractivity: 50.58 cm3; (13)Molar Volume: 126.9 cm3; (14)Polarizability: 20.05×10-24 cm3.
In addition, you could convert the following datas into the molecular structure:
(1)SMILES:O=C(O)c1cn2c(Br)cnc2cc1
(2)InChI:InChI=1/C8H5BrN2O2/c9-6-3-10-7-2-1-5(8(12)13)4-11(6)7/h1-4H,(H,12,13)
(3)InChIKey:VLYJTINXFYEGOO-UHFFFAOYAS
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