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951884-57-4 | 1-((3-Bromo-5-(trifluoromethyl);phenyl);sulfonyl);-2-methyl-1H-imidazole
CAS No: 951884-57-4 Catalog No: AG003CRY MDL No:MFCD09801016
Product Description
Catalog Number:
AG003CRY
Chemical Name:
1-((3-Bromo-5-(trifluoromethyl);phenyl);sulfonyl);-2-methyl-1H-imidazole
CAS Number:
951884-57-4
Molecular Formula:
C11H8BrF3N2O2S
Molecular Weight:
369.1576
MDL Number:
MFCD09801016
IUPAC Name:
1-[3-bromo-5-(trifluoromethyl)phenyl]sulfonyl-2-methylimidazole
InChI:
InChI=1S/C11H8BrF3N2O2S/c1-7-16-2-3-17(7)20(18,19)10-5-8(11(13,14)15)4-9(12)6-10/h2-6H,1H3
InChI Key:
ZVTPURGJBDJHOQ-UHFFFAOYSA-N
SMILES:
Brc1cc(cc(c1)S(=O)(=O)n1ccnc1C)C(F)(F)F
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.944g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
369.156g/mol
Monoisotopic Mass:
367.944g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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