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ZINC02991154,,, :Molecular Weight306.78396 [g/mol]Molecular FormulaC

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摘 要:ZINC02991154,,, :Molecular Weight306.78396 [g/mol]Molecular FormulaC17H19ClO3XLogP5H-Bond Donor0H-Bond Acceptor3Rotatable Bond Count8Exact Mass306.102272MonoIsotopic Mass306.102272Topological Polar Surface Area27.7Heavy Atom Count21Formal Charge0Co
[Synonyms]
ZINC02991154


Properties Computed from Structure:Molecular Weight306.78396 [g/mol]Molecular FormulaC17H19ClO3XLogP5H-Bond Donor0H-Bond Acceptor3Rotatable Bond Count8Exact Mass306.102272MonoIsotopic Mass306.102272Topological Polar Surface Area27.7Heavy Atom Count21Formal Charge0Complexity267Isotope Atom Count0Defined Atom StereoCenter Count0Undefined Atom StereoCenter Count0Defined Bond StereoCenter Count0Undefined Bond StereoCenter Count0Covalently-Bonded Unit Count1

Descriptors Computed from Structure:IUPAC Name: 1-[3-(4-chlorophenoxy)propoxy]-3-ethoxybenzene
Canonical SMILES: CCOC1=CC(=CC=C1)OCCCOC2=CC=C(C=C2)Cl
InChI: InChI=1/C17H19ClO3/c1-2-19-16-5-3-6-17(13-16)21-12-4-11-20-15-9-7-14(18)
8-10-15/h3,5-10,13H,2,4,11-12H2,1H3


Compound Info:CID: 2288962  Create Date: 2005-07-15

Similar Compounds: 46 Links


Substance Info:Substances: 5 Links

Category: [for same structure substances]Biological Properties: 1 Link
   DiscoveryGate ( 1 )
SID: 8995753 - External ID: 2288962

Substance Vendors: 3 Links
   ChemBridge ( 1 )
SID: 3475613 - External ID: 6486030
   ChemSpider ( 1 )
SID: 29787491 - External ID: 1711312
   ZINC ( 1 )
SID: 2701443 - External ID: ZINC02991154

Theoretical Properties: 2 Links
   ChemDB ( 1 )
SID: 5388415 - External ID: 4374281
   ZINC ( 1 )
SID: 2701443 - External ID: ZINC02991154

ASN1DisplaySaveXMLDisplaySaveSDFDisplaySave Compound ID2288962Molecular Weight306.78396 [g/mol]Molecular FormulaC17H19ClO3XLogP5H-Bond Donor0H-Bond Acceptor3  Links
Chemical Structure Search

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[Structure]
ZINC02991154,,,   :Molecular Weight306.78396 [g/mol]Molecular FormulaC

[ Properties Computed from Structure]
Molecular Weight306.78396 [g/mol]
Molecular FormulaC17H19ClO3
XLogP5
H-Bond Donor0
H-Bond Acceptor3
Rotatable Bond Count8
Exact Mass306.102272
MonoIsotopic Mass306.102272
Topological Polar Surface Area27.7
Heavy Atom Count21
Formal Charge0
Complexity267
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: 1-[3-(4-chlorophenoxy)propoxy]-3-ethoxybenzene
Canonical SMILES: CCOC1=CC(=CC=C1)OCCCOC2=CC=C(C=C2)Cl
InChI: InChI=1/C17H19ClO3/c1-2-19-16-5-3-6-17(13-16)21-12-4-11-20-15-9-7-14(18)
8-10-15/h3,5-10,13H,2,4,11-12H2,1H3

 
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