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180508-09-2 | 1H-Benzimidazole, 5-chloro-7-methyl-
CAS No: 180508-09-2 Catalog No: AG00221K MDL No:MFCD02181079
Product Description
Catalog Number:
AG00221K
Chemical Name:
1H-Benzimidazole, 5-chloro-7-methyl-
CAS Number:
180508-09-2
Molecular Formula:
C8H7ClN2
Molecular Weight:
166.6076
MDL Number:
MFCD02181079
IUPAC Name:
6-chloro-4-methyl-1H-benzimidazole
InChI:
InChI=1S/C8H7ClN2/c1-5-2-6(9)3-7-8(5)11-4-10-7/h2-4H,1H3,(H,10,11)
InChI Key:
XKWUSIGMAXJOMF-UHFFFAOYSA-N
SMILES:
Clc1cc(C)c2c(c1)nc[nH]2
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:
2.5
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