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1219741-22-6 | 1H-Benzimidazole, 5-chloro-6-iodo-2-(methylthio)-
CAS No: 1219741-22-6 Catalog No: AG0016GV MDL No:
Product Description
Catalog Number:
AG0016GV
Chemical Name:
1H-Benzimidazole, 5-chloro-6-iodo-2-(methylthio)-
CAS Number:
1219741-22-6
Molecular Formula:
C8H6ClIN2S
Molecular Weight:
324.5691
IUPAC Name:
6-chloro-5-iodo-2-methylsulfanyl-1H-benzimidazole
InChI:
InChI=1S/C8H6ClIN2S/c1-13-8-11-6-2-4(9)5(10)3-7(6)12-8/h2-3H,1H3,(H,11,12)
InChI Key:
MZRYEOHHJIRTFJ-UHFFFAOYSA-N
SMILES:
CSc1[nH]c2c(n1)cc(c(c2)I)Cl
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.898g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
324.564g/mol
Monoisotopic Mass:
323.898g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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