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Home > Fluorides > 827304-71-2
827304-71-2 | 2-Propenoic acid, 1-(1,1-difluoro-2-propenyl)hexyl ester
CAS No: 827304-71-2 Catalog No: AG0050QV MDL No:
Product Description
Catalog Number:
AG0050QV
Chemical Name:
2-Propenoic acid, 1-(1,1-difluoro-2-propenyl)hexyl ester
CAS Number:
827304-71-2
Molecular Formula:
C12H18F2O2
Molecular Weight:
232.2669
IUPAC Name:
3,3-difluoronon-1-en-4-yl prop-2-enoate
InChI:
InChI=1S/C12H18F2O2/c1-4-7-8-9-10(12(13,14)6-3)16-11(15)5-2/h5-6,10H,2-4,7-9H2,1H3
InChI Key:
ZRTTYAGOKSAATL-UHFFFAOYSA-N
SMILES:
CCCCCC(C(C=C)(F)F)OC(=O)C=C
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.127g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.271g/mol
Monoisotopic Mass:
232.127g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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