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88404-82-4

88404-82-4 | Benzenamine, 2-[1-(methylsulfonyl)ethyl]-6-(trifluoromethyl)-

CAS No: 88404-82-4 Catalog No: AG004L86 MDL No:

Product Description

Catalog Number:
AG004L86
Chemical Name:
Benzenamine, 2-[1-(methylsulfonyl)ethyl]-6-(trifluoromethyl)-
CAS Number:
88404-82-4
Molecular Formula:
C10H12F3NO2S
Molecular Weight:
267.2680
IUPAC Name:
2-(1-methylsulfonylethyl)-6-(trifluoromethyl)aniline
InChI:
InChI=1S/C10H12F3NO2S/c1-6(17(2,15)16)7-4-3-5-8(9(7)14)10(11,12)13/h3-6H,14H2,1-2H3
InChI Key:
WDIJJUXZSFMMKC-UHFFFAOYSA-N
SMILES:
Nc1c(cccc1C(F)(F)F)C(S(=O)(=O)C)C

Properties

Complexity:
361  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.054g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
267.266g/mol
Monoisotopic Mass:
267.054g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

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