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NRDC 141,LS-58643,Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)

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摘 要:NRDC 141,LS-58643,Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, (5-(phenylmethyl)-3-furanyl)methyl ester, cis-(+-)-,CYCLOPROPANECARBOXYLIC ACID, 3-(2,2-DICHLOROETHENYL)-2,2-DIMETHYL-, (5-(PHENYLME,52341-31-8, [5-(phenylmethyl)fu
[Synonyms]
NRDC 141
LS-58643
Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, (5-(phenylmethyl)-3-furanyl)methyl ester, cis-(+-)-
CYCLOPROPANECARBOXYLIC ACID, 3-(2,2-DICHLOROETHENYL)-2,2-DIMETHYL-, (5-(PHENYLME
52341-31-8

[Structure]
NRDC 141,LS-58643,Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)

[ Properties Computed from Structure]
Molecular Weight379.277 [g/mol]
Molecular FormulaC20H20Cl2O3
XLogP5
H-Bond Donor0
H-Bond Acceptor3
Rotatable Bond Count7
Exact Mass378.07895
MonoIsotopic Mass378.07895
Topological Polar Surface Area39.4
Heavy Atom Count25
Formal Charge0
Complexity507
Isotope Atom Count0
Defined Atom StereoCenter Count2
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: [5-(phenylmethyl)furan-3-yl]methyl
(1R,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
Canonical SMILES: CC1(C(C1C(=O)OCC2=COC(=C2)CC3=CC=CC=C3)C=C(Cl)Cl)C
Isomeric SMILES: CC1([C@H]([C@H]1C(=O)OCC2=COC(=C2)CC3=CC=CC=C3)C=C(Cl)Cl)C
InChI: InChI=1/C20H20Cl2O3/c1-20(2)16(10-17(21)22)18(20)19(23)25-12-14-9-15(24-
11-14)8-13-6-4-3-5-7-13/h3-7,9-11,16,18H,8,12H2,1-2H3/t16-,18-/m0/s1

 
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