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Home Halogens 5-chloro-2-methyl-1H-1,3-benzodiazole

5-chloro-2-methyl-1H-1,3-benzodiazole

CAS No.:
2818-69-1
Catalog Number:
AG003MNB
Molecular Formula:
C8H7ClN2
Molecular Weight:
166.6076
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$32
- +
5g
95%
In Stock USA
United States
$119
- +
10g
95%
In Stock USA
United States
$225
- +
25g
95%
In Stock USA
United States
$475
- +
Product Description
Catalog Number:
AG003MNB
Chemical Name:
5-chloro-2-methyl-1H-1,3-benzodiazole
CAS Number:
2818-69-1
Molecular Formula:
C8H7ClN2
Molecular Weight:
166.6076
MDL Number:
MFCD00014559
IUPAC Name:
6-chloro-2-methyl-1H-benzimidazole
InChI:
InChI=1S/C8H7ClN2/c1-5-10-7-3-2-6(9)4-8(7)11-5/h2-4H,1H3,(H,10,11)
InChI Key:
NICFDLORAOTXMD-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)nc([nH]2)C
EC Number:
220-575-3
UNII:
XV988Z010H
NSC Number:
60139
Properties
Complexity:
151  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.03g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
166.608g/mol
Monoisotopic Mass:
166.03g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Literature
Title Journal
Molecular modeling of some 1H-benzimidazole derivatives with biological activity against Entamoeba histolytica: a comparative molecular field analysis study. Bioorganic & medicinal chemistry 20070115
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Synthesis and antiparasitic activity of 1H-benzimidazole derivatives. Bioorganic & medicinal chemistry letters 20020819
Properties