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Imidazo[1,2-c]pyrimidin-5(1H)-one, 7-chloro-

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Imidazo[1,2-c]pyrimidin-5(1H)-one, 7-chloro-

EINECS
CAS No. 1070972-32-5 Density 1.716 g/cm3
Solubility Melting Point
Formula C6H4ClN3O Boiling Point 323.154 °C at 760 mmHg
Molecular Weight 169.57 Flash Point 149.239 °C
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Safety Risk Codes
Molecular Structure Molecular Structure of 1070972-32-5 (Imidazo[1,2-c]pyrimidin-5(1H)-one, 7-chloro-) Hazard Symbols
Synonyms

7-Chloroimidazo[1,2-c]pyrimidin-5(1H)-one;7-Chloro-1H-imidazo[1,2-c]pyrimidin-5-one;

 

Imidazo[1,2-c]pyrimidin-5(1H)-one, 7-chloro- Specification

The Imidazo[1,2-c]pyrimidin-5(1H)-one, 7-chloro-, with the CAS registry number 1070972-32-5, is also known as 7-Chloroimidazo[1,2-c]pyrimidin-5(1H)-one. This chemical's molecular formula is C6H4ClN3O and molecular weight is 169.57. What's more, its systematic name is 7-Chloro-1H-imidazo[1,2-c]pyrimidin-5-one.

Physical properties of Imidazo[1,2-c]pyrimidin-5(1H)-one, 7-chloro- are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 6.432; (5)ACD/KOC (pH 7.4): 11.322; (6)#H bond acceptors: 4; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 44.7 Å2; (10)Index of Refraction: 1.759; (11)Molar Refractivity: 40.611 cm3; (12)Molar Volume: 98.809 cm3; (13)Polarizability: 16.099×10-24 cm3; (14)Surface Tension: 68.796 dyne/cm; (15)Density: 1.716 g/cm3; (16)Flash Point: 149.239 °C; (17)Enthalpy of Vaporization: 56.507 kJ/mol; (18)Boiling Point: 323.154 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cn2c([nH]1)cc(nc2=O)Cl
(2)InChI: InChI=1S/C6H4ClN3O/c7-4-3-5-8-1-2-10(5)6(11)9-4/h1-3,8H
(3)InChIKey: BANITHINOGJNAC-UHFFFAOYSA-N

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