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933673-25-7 | 2-Methyl-1-nitro-4-trifluoromethylsulfanyl-benzene
CAS No: 933673-25-7 Catalog No: AG01EZC2 MDL No:
Product Description
Catalog Number:
AG01EZC2
Chemical Name:
2-Methyl-1-nitro-4-trifluoromethylsulfanyl-benzene
CAS Number:
933673-25-7
Molecular Formula:
C8H6F3NO2S
Molecular Weight:
237.1989
IUPAC Name:
2-methyl-1-nitro-4-(trifluoromethylsulfanyl)benzene
InChI:
InChI=1S/C8H6F3NO2S/c1-5-4-6(15-8(9,10)11)2-3-7(5)12(13)14/h2-4H,1H3
InChI Key:
LTCOZNJOCZKXFF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1C)SC(F)(F)F
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.007g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.196g/mol
Monoisotopic Mass:
237.007g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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