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Home > Fluorides > 143962-96-3
143962-96-3 | 2-Propenoic acid, hexafluorobutyl ester
CAS No: 143962-96-3 Catalog No: AG001INI MDL No:
Product Description
Catalog Number:
AG001INI
Chemical Name:
2-Propenoic acid, hexafluorobutyl ester
CAS Number:
143962-96-3
Molecular Formula:
C7H6F6O2
Molecular Weight:
236.1118
IUPAC Name:
1,1,2,4,4,4-hexafluorobutyl prop-2-enoate
InChI:
InChI=1S/C7H6F6O2/c1-2-5(14)15-7(12,13)4(8)3-6(9,10)11/h2,4H,1,3H2
InChI Key:
DEQJNIVTRAWAMD-UHFFFAOYSA-N
SMILES:
C=CC(=O)OC(C(CC(F)(F)F)F)(F)F
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.027g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.113g/mol
Monoisotopic Mass:
236.027g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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