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3- (3,4-Dichlorophenyl) -1-propene

CAT: 0024-sc-322219Size: 5 gDry Ice: NoHazardous: No
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CAS Number
20849-86-9

Chemical Information

3-(3,4-Dichlorophenyl)-1-propene
CAS Number20849-86-9
PubChem CID2758190
IUPAC Name1,2-dichloro-4-prop-2-enylbenzene
Molecular FormulaC9H8Cl2
Molecular Weight187.06
XLogP4.7
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity134
SMILES
C=CCC1=CC(=C(C=C1)Cl)Cl
InChI
InChI=1S/C9H8Cl2/c1-2-3-7-4-5-8(10)9(11)6-7/h2,4-6H,1,3H2
InChIKey
IDOMJXTWQAEDLQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(3,4-Dichlorophenyl)-1-propene
CAS: 20849-86-9
CID: 2758190
Formula: C9H8Cl2
MW: 187.06
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight187.06
XLogP34.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count2
Exact Mass186.0003056
Monoisotopic Mass186.0003056
Topological Polar Surface Area0 Ų
Heavy Atom Count11
Formal Charge0
Complexity134
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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