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175135-17-8 | 2H-Benzimidazole-2-thione, 4-bromo-1,3-dihydro-6-(trifluoromethyl)-
CAS No: 175135-17-8 Catalog No: AG00205X MDL No:
Product Description
Catalog Number:
AG00205X
Chemical Name:
2H-Benzimidazole-2-thione, 4-bromo-1,3-dihydro-6-(trifluoromethyl)-
CAS Number:
175135-17-8
Molecular Formula:
C8H4BrF3N2S
Molecular Weight:
297.0950
IUPAC Name:
4-bromo-6-(trifluoromethyl)-1,3-dihydrobenzimidazole-2-thione
InChI:
InChI=1S/C8H4BrF3N2S/c9-4-1-3(8(10,11)12)2-5-6(4)14-7(15)13-5/h1-2H,(H2,13,14,15)
InChI Key:
XUDUCQCVVBSDGY-UHFFFAOYSA-N
SMILES:
FC(c1cc(Br)c2c(c1)[nH]c(=S)[nH]2)(F)F
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.923g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
297.093g/mol
Monoisotopic Mass:
295.923g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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