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Home Halogens Carbamic acid, N-(6-chloro-1H-benzimidazol-2-yl)-, methyl ester

Carbamic acid, N-(6-chloro-1H-benzimidazol-2-yl)-, methyl ester

CAS No.:
20367-38-8
Catalog Number:
AG002937
Molecular Formula:
C9H8ClN3O2
Molecular Weight:
225.6317
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Product Description
Catalog Number:
AG002937
Chemical Name:
Carbamic acid, N-(6-chloro-1H-benzimidazol-2-yl)-, methyl ester
CAS Number:
20367-38-8
Molecular Formula:
C9H8ClN3O2
Molecular Weight:
225.6317
MDL Number:
MFCD08234600
IUPAC Name:
methyl N-(6-chloro-1H-benzimidazol-2-yl)carbamate
InChI:
InChI=1S/C9H8ClN3O2/c1-15-9(14)13-8-11-6-3-2-5(10)4-7(6)12-8/h2-4H,1H3,(H2,11,12,13,14)
InChI Key:
VLEJNRYXCWJNPA-UHFFFAOYSA-N
SMILES:
COC(=O)Nc1nc2c([nH]1)cc(cc2)Cl
Properties
Complexity:
252  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.031g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
225.632g/mol
Monoisotopic Mass:
225.031g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
67A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
Synthesis and in vitro cysticidal activity of new benzimidazole derivatives. European journal of medicinal chemistry 20090401
Synthesis and antiparasitic activity of 1H-benzimidazole derivatives. Bioorganic & medicinal chemistry letters 20020819
Properties