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1492-87-1 | 2-Propenoic acid, 4-[methyl[(1,1,2,2,3,3,4,4,4-nonafluorobutyl)sulfonyl]amino]butyl ester
CAS No: 1492-87-1 Catalog No: AG001LGW MDL No:
Product Description
Catalog Number:
AG001LGW
Chemical Name:
2-Propenoic acid, 4-[methyl[(1,1,2,2,3,3,4,4,4-nonafluorobutyl)sulfonyl]amino]butyl ester
CAS Number:
1492-87-1
Molecular Formula:
C12H14F9NO4S
Molecular Weight:
439.2945
IUPAC Name:
4-[methyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]butyl prop-2-enoate
InChI:
InChI=1S/C12H14F9NO4S/c1-3-8(23)26-7-5-4-6-22(2)27(24,25)12(20,21)10(15,16)9(13,14)11(17,18)19/h3H,1,4-7H2,2H3
InChI Key:
PGYDZCBTWHHAQX-UHFFFAOYSA-N
SMILES:
C=CC(=O)OCCCCN(S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C
EC Number:
216-085-4
Properties
Complexity:
640
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
439.05g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
14
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
439.293g/mol
Monoisotopic Mass:
439.05g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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