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827042-53-5 | 1H-Benzimidazole, 5-chloro-4-methyl-2-(trichloromethyl)-
CAS No: 827042-53-5 Catalog No: AG0050V0 MDL No:
Product Description
Catalog Number:
AG0050V0
Chemical Name:
1H-Benzimidazole, 5-chloro-4-methyl-2-(trichloromethyl)-
CAS Number:
827042-53-5
Molecular Formula:
C9H6Cl4N2
Molecular Weight:
283.9693
IUPAC Name:
5-chloro-4-methyl-2-(trichloromethyl)-1H-benzimidazole
InChI:
InChI=1S/C9H6Cl4N2/c1-4-5(10)2-3-6-7(4)15-8(14-6)9(11,12)13/h2-3H,1H3,(H,14,15)
InChI Key:
FMYSQFFPAVKKRX-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1C)nc([nH]2)C(Cl)(Cl)Cl
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.926g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.961g/mol
Monoisotopic Mass:
281.929g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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