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88404-81-3 | Benzenamine, 2-[(methylsulfonyl)methyl]-6-(trifluoromethyl)-
CAS No: 88404-81-3 Catalog No: AG004L87 MDL No:
Product Description
Catalog Number:
AG004L87
Chemical Name:
Benzenamine, 2-[(methylsulfonyl)methyl]-6-(trifluoromethyl)-
CAS Number:
88404-81-3
Molecular Formula:
C9H10F3NO2S
Molecular Weight:
253.2414
IUPAC Name:
2-(methylsulfonylmethyl)-6-(trifluoromethyl)aniline
InChI:
InChI=1S/C9H10F3NO2S/c1-16(14,15)5-6-3-2-4-7(8(6)13)9(10,11)12/h2-4H,5,13H2,1H3
InChI Key:
MJKGXKMAWXTBHJ-UHFFFAOYSA-N
SMILES:
Nc1c(cccc1C(F)(F)F)CS(=O)(=O)C
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.038g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.239g/mol
Monoisotopic Mass:
253.038g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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