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2- (2-fluorophenyl) -2-methyl-1,3-dioxolane

CAT: 0127-PC1023004-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0127-PC1023004-01Size:500 mg
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CAS Number
261966-94-3
MDL Number
MFCD34755686
Purity
97%
Smiles
C1 (ccccc1F) C1 (C) OCCO1

Chemical Information

2-(2-Fluorophenyl)-2-methyl-1,3-dioxolane
CAS Number261966-94-3
PubChem CID11252353
IUPAC Name2-(2-fluorophenyl)-2-methyl-1,3-dioxolane
Molecular FormulaC10H11FO2
Molecular Weight182.19
XLogP1.6
Topological Polar Surface Area18.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity178
SMILES
CC1(OCCO1)C2=CC=CC=C2F
InChI
InChI=1S/C10H11FO2/c1-10(12-6-7-13-10)8-4-2-3-5-9(8)11/h2-5H,6-7H2,1H3
InChIKey
RJHQUBFWJNGRJC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2-Fluorophenyl)-2-methyl-1,3-dioxolane
CAS: 261966-94-3
CID: 11252353
Formula: C10H11FO2
MW: 182.19
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight182.19
XLogP31.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass182.07430775
Monoisotopic Mass182.07430775
Topological Polar Surface Area18.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity178
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