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Home > Fluorides > 126296-30-8
126296-30-8 | 4-Pentenoic acid, 5-iodo-3,3-dimethyl-, 2,3,5,6-tetrafluorophenyl ester
CAS No: 126296-30-8 Catalog No: AG000SHN MDL No:
Product Description
Catalog Number:
AG000SHN
Chemical Name:
4-Pentenoic acid, 5-iodo-3,3-dimethyl-, 2,3,5,6-tetrafluorophenyl ester
CAS Number:
126296-30-8
Molecular Formula:
C13H11F4IO2
Molecular Weight:
402.1233
IUPAC Name:
5-iodo-3,3-dimethyl-2-(2,3,5,6-tetrafluorophenyl)pent-4-enoate
InChI:
InChI=1S/C13H11F4IO2/c1-13(2,3-4-18)9(12(19)20)8-10(16)6(14)5-7(15)11(8)17/h3-5,9H,1-2H3,(H,19,20)/p-1
InChI Key:
CYTLRNJLNMTXHP-UHFFFAOYSA-M
SMILES:
IC=CC(CC(=O)Oc1c(F)c(F)cc(c1F)F)(C)C
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.966g/mol
Formal Charge:
-1
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
401.119g/mol
Monoisotopic Mass:
400.966g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
5
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