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Home > Fluorides > 1017778-44-7
1017778-44-7 | 3-Ethoxy-2,4-difluorocinnamic acid
CAS No: 1017778-44-7 Catalog No: AG01FE15 MDL No:
Product Description
Catalog Number:
AG01FE15
Chemical Name:
3-Ethoxy-2,4-difluorocinnamic acid
CAS Number:
1017778-44-7
Molecular Formula:
C11H10F2O3
Molecular Weight:
228.1921
IUPAC Name:
(E)-3-(3-ethoxy-2,4-difluorophenyl)prop-2-enoic acid
InChI:
InChI=1S/C11H10F2O3/c1-2-16-11-8(12)5-3-7(10(11)13)4-6-9(14)15/h3-6H,2H2,1H3,(H,14,15)/b6-4+
InChI Key:
KEKXZPKFJIPTDE-GQCTYLIASA-N
SMILES:
CCOc1c(F)ccc(c1F)/C=C/C(=O)O
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
228.06g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.195g/mol
Monoisotopic Mass:
228.06g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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