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68227-99-6 | ACRYLIC ACID 4-[METHYL[(UNDECAFLUOROPENTYL)SULFONYL]AMINO]BUTYL ESTER
CAS No: 68227-99-6 Catalog No: AG005LOX MDL No:
Product Description
Catalog Number:
AG005LOX
Chemical Name:
ACRYLIC ACID 4-[METHYL[(UNDECAFLUOROPENTYL)SULFONYL]AMINO]BUTYL ESTER
CAS Number:
68227-99-6
Molecular Formula:
C13H14F11NO4S
Molecular Weight:
489.3020
IUPAC Name:
4-[methyl(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl)amino]butyl prop-2-enoate
InChI:
InChI=1S/C13H14F11NO4S/c1-3-8(26)29-7-5-4-6-25(2)30(27,28)13(23,24)11(18,19)9(14,15)10(16,17)12(20,21)22/h3H,1,4-7H2,2H3
InChI Key:
IGHHYZVIDWXKMF-UHFFFAOYSA-N
SMILES:
C=CC(=O)OCCCCN(S(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)C
EC Number:
269-395-7
Properties
Complexity:
728
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
489.047g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
16
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
489.3g/mol
Monoisotopic Mass:
489.047g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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