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159724-30-8 | 1H-Benzimidazole, 7-iodo-1-phenyl-5-(trifluoromethyl)-
CAS No: 159724-30-8 Catalog No: AG001RCL MDL No:
Product Description
Catalog Number:
AG001RCL
Chemical Name:
1H-Benzimidazole, 7-iodo-1-phenyl-5-(trifluoromethyl)-
CAS Number:
159724-30-8
Molecular Formula:
C14H8F3IN2
Molecular Weight:
388.1264
IUPAC Name:
7-iodo-1-phenyl-5-(trifluoromethyl)benzimidazole
InChI:
InChI=1S/C14H8F3IN2/c15-14(16,17)9-6-11(18)13-12(7-9)19-8-20(13)10-4-2-1-3-5-10/h1-8H
InChI Key:
KXBXSUTXWUCPEB-UHFFFAOYSA-N
SMILES:
Ic1cc(cc2c1n(cn2)c1ccccc1)C(F)(F)F
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
387.968g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
388.132g/mol
Monoisotopic Mass:
387.968g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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