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1017779-08-6 | 3-Chloro-4-ethoxy-5-fluorocinnamic acid
CAS No: 1017779-08-6 Catalog No: AG01FC5V MDL No:
Product Description
Catalog Number:
AG01FC5V
Chemical Name:
3-Chloro-4-ethoxy-5-fluorocinnamic acid
CAS Number:
1017779-08-6
Molecular Formula:
C11H10ClFO3
Molecular Weight:
244.6467
IUPAC Name:
(E)-3-(3-chloro-4-ethoxy-5-fluorophenyl)prop-2-enoic acid
InChI:
InChI=1S/C11H10ClFO3/c1-2-16-11-8(12)5-7(6-9(11)13)3-4-10(14)15/h3-6H,2H2,1H3,(H,14,15)/b4-3+
InChI Key:
FKKGAVCSYHKMOK-ONEGZZNKSA-N
SMILES:
CCOc1c(F)cc(cc1Cl)/C=C/C(=O)O
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
244.03g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.646g/mol
Monoisotopic Mass:
244.03g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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