Home Sulfos [4-methanesulfonyl-3-(trifluoromethyl)phenyl]methanamine

[4-methanesulfonyl-3-(trifluoromethyl)phenyl]methanamine

CAS No.:
1057260-42-0
Catalog Number:
AG01BEN2
Molecular Formula:
C9H10F3NO2S
Molecular Weight:
253.2414
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Product Description
Catalog Number:
AG01BEN2
Chemical Name:
[4-methanesulfonyl-3-(trifluoromethyl)phenyl]methanamine
CAS Number:
1057260-42-0
Molecular Formula:
C9H10F3NO2S
Molecular Weight:
253.2414
MDL Number:
MFCD26051434
IUPAC Name:
[4-methylsulfonyl-3-(trifluoromethyl)phenyl]methanamine
InChI:
InChI=1S/C9H10F3NO2S/c1-16(14,15)8-3-2-6(5-13)4-7(8)9(10,11)12/h2-4H,5,13H2,1H3
InChI Key:
XCNUDFCFHMVCKJ-UHFFFAOYSA-N
SMILES:
NCc1ccc(c(c1)C(F)(F)F)S(=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:
0.9  
Properties