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2-Fluorocinnamic acid ,o-Fluorocinnamic acid,Cinnamic acid, o-fluoro-,

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摘 要:2-Fluorocinnamic acid ,o-Fluorocinnamic acid,Cinnamic acid, o-fluoro-,ortho-Fluorocinnamate ,2-Propenoic acid, 3-(2-fluorophenyl)-,222712_ALDRICH,EINECS 207-195-3,Cinnamic acid, o-fluoro-, (Z)-,NSC73989,BRN 1863963, (E)-3-(2-fluorophenyl)prop-2-enoic
[Synonyms]
2-Fluorocinnamic acid
o-Fluorocinnamic acid
Cinnamic acid, o-fluoro-
ortho-Fluorocinnamate
2-Propenoic acid, 3-(2-fluorophenyl)-
222712_ALDRICH
EINECS 207-195-3
Cinnamic acid, o-fluoro-, (Z)-
NSC73989
BRN 1863963

[Structure]
2-Fluorocinnamic acid ,o-Fluorocinnamic acid,Cinnamic acid, o-fluoro-,

[ Properties Computed from Structure]
Molecular Weight166.149083 [g/mol]
Molecular FormulaC9H7FO2
XLogP2.1
H-Bond Donor1
H-Bond Acceptor3
Rotatable Bond Count2
Exact Mass166.043008
MonoIsotopic Mass166.043008
Topological Polar Surface Area37.3
Heavy Atom Count12
Formal Charge0
Complexity189
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count1
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: (E)-3-(2-fluorophenyl)prop-2-enoic acid
Canonical SMILES: C1=CC=C(C(=C1)C=CC(=O)O)F
Isomeric SMILES: C1=CC=C(C(=C1)\C=C\C(=O)O)F
InChI: InChI=1/C9H7FO2/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6H,(H,11,
12)/b6-5+/f/h11H

 
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