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147029-28-5 | Benzenamine, 4-[(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl]-
CAS No: 147029-28-5 Catalog No: AG001EJA MDL No:
Product Description
Catalog Number:
AG001EJA
Chemical Name:
Benzenamine, 4-[(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl]-
CAS Number:
147029-28-5
Molecular Formula:
C12H6F13NO2S
Molecular Weight:
475.2258
IUPAC Name:
4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)aniline
InChI:
InChI=1S/C12H6F13NO2S/c13-7(14,9(17,18)11(21,22)23)8(15,16)10(19,20)12(24,25)29(27,28)6-3-1-5(26)2-4-6/h1-4H,26H2
InChI Key:
VRERAVZGWDFWBW-UHFFFAOYSA-N
SMILES:
FC(S(=O)(=O)c1ccc(cc1)N)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)F
Properties
Complexity:
702
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
474.991g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
16
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
475.224g/mol
Monoisotopic Mass:
474.991g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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