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Oprea1_678518,Oprea1_808640,ZINC02825707, 2-(4-bromo-2-chlorophenoxy)-

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摘 要:Oprea1_678518,Oprea1_808640,ZINC02825707, 2-(4-bromo-2-chlorophenoxy)-N-[2-(1-cyclohexenyl)ethyl]acetamide,Canonical SMILES: C1CCC(=CC1)CCNC(=O)COC2=C(C=C(C=C2)Br)Cl,InChI: InChI=1/C16H19BrClNO2/c17-13-6-7-15(14(18)10-13)21-11-16(20)19-9-8-12-4-,2-1-
[Synonyms]
Oprea1_678518
Oprea1_808640
ZINC02825707

[Structure]
Oprea1_678518,Oprea1_808640,ZINC02825707, 2-(4-bromo-2-chlorophenoxy)-

[ Properties Computed from Structure]
Molecular Weight372.68456 [g/mol]
Molecular FormulaC16H19BrClNO2
XLogP4.7
H-Bond Donor1
H-Bond Acceptor2
Rotatable Bond Count6
Tautomer Count2
Exact Mass371.028769
MonoIsotopic Mass371.028769
Topological Polar Surface Area38.3
Heavy Atom Count21
Formal Charge0
Complexity375
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 2-(4-bromo-2-chlorophenoxy)-N-[2-(1-cyclohexenyl)ethyl]acetamide
Canonical SMILES: C1CCC(=CC1)CCNC(=O)COC2=C(C=C(C=C2)Br)Cl
InChI: InChI=1/C16H19BrClNO2/c17-13-6-7-15(14(18)10-13)21-11-16(20)19-9-8-12-4-
2-1-3-5-12/h4,6-7,10H,1-3,5,8-9,11H2,(H,19,20)/f/h19H

 
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