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Imidazo[1,2-a]pyrimidine,3-bromo-2-(4-methoxyphenyl)-

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Name

Imidazo[1,2-a]pyrimidine,3-bromo-2-(4-methoxyphenyl)-

EINECS N/A
CAS No. 478043-89-9 Density 1.56 g/cm3
PSA 39.42000 LogP 3.16740
Solubility N/A Melting Point N/A
Formula C13H10BrN3O Boiling Point N/A
Molecular Weight 304.14 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 478043-89-9 (3-BROMO-2-(4-METHOXY-PHENYL)-IMIDAZO[1,2-A]PYRIMIDINE) Hazard Symbols IrritantXi
Synonyms

3-BROMO-2-(4-METHOXY-PHENYL)-IMIDAZO[1,2-A]PYRIMIDINE;4-(3-BROMOIMIDAZO[1,2-A]PYRIMIDIN-2-YL)PHENYL METHYL ETHER

 

Imidazo[1,2-a]pyrimidine,3-bromo-2-(4-methoxyphenyl)- Specification

This chemical is called Imidazo[1,2-a]pyrimidine,3-bromo-2-(4-methoxyphenyl)-, and its systematic name is 3-Brom-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidin. With the molecular formula of C13H10BrN3O, its molecular weight is 304.14. The CAS registry number of this chemical is 478043-89-9.

Other characteristics of the Imidazo[1,2-a]pyrimidine,3-bromo-2-(4-methoxyphenyl)- can be summarised as followings: (1)ACD/LogP: 3.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.24; (4)ACD/LogD (pH 7.4): 3.24; (5)ACD/BCF (pH 5.5): 169.96; (6)ACD/BCF (pH 7.4): 170.16; (7)ACD/KOC (pH 5.5): 1373.86; (8)ACD/KOC (pH 7.4): 1375.5; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 39.42 Å2; (13)Index of Refraction: 1.68; (14)Molar Refractivity: 73.63 cm3; (15)Molar Volume: 194.7 cm3; (16)Polarizability: 29.19×10-24cm3; (17)Surface Tension: 51 dyne/cm; (18)Density: 1.56 g/cm3.

You can still convert the following datas into molecular structure: 
1.SMILES: Brc1c(nc2ncccn12)c3ccc(OC)cc3
2.InChI: InChI=1/C13H10BrN3O/c1-18-10-5-3-9(4-6-10)11-12(14)17-8-2-7-15-13(17)16-11/h2-8H,1H3
3.InChIKey: UEGOTSZXKFZUFZ-UHFFFAOYAE

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