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2- (2,4-dichlorophenyl) -2-methyl-1,3-dioxolane

CAT: 0127-OR1098595-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1098595-01Size:250 mg
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CAS Number
84946-10-1
MDL Number
MFCD34771256
Purity
97%
Smiles
C1c (cc (c (c1) C1 (C) OCCO1) Cl) Cl

Chemical Information

2-(2,4-Dichlorophenyl)-2-methyl-1,3-dioxolane
CAS Number84946-10-1
PubChem CID11970879
IUPAC Name2-(2,4-dichlorophenyl)-2-methyl-1,3-dioxolane
Molecular FormulaC10H10Cl2O2
Molecular Weight233.09
XLogP2.8
Topological Polar Surface Area18.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count14
Formal Charge0
Complexity204
SMILES
CC1(OCCO1)C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C10H10Cl2O2/c1-10(13-4-5-14-10)8-3-2-7(11)6-9(8)12/h2-3,6H,4-5H2,1H3
InChIKey
HAXWHYNRHOLHCE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2,4-Dichlorophenyl)-2-methyl-1,3-dioxolane
CAS: 84946-10-1
CID: 11970879
Formula: C10H10Cl2O2
MW: 233.09
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight233.09
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass232.0057849
Monoisotopic Mass232.0057849
Topological Polar Surface Area18.5 Ų
Heavy Atom Count14
Formal Charge0
Complexity204
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