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3,5-Difluorophenylacetylene

CAT: 0127-PC9898-01Size: 1 gDry Ice: NoHazardous: No
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CAS Number
151361-87-4
Synonyms
1-Ethynyl-3,5-difluorobenzene
MDL Number
MFCD04039982
Purity
97%
Smiles
Fc1cc(F)cc(c1)C#C

Chemical Information

1-Ethynyl-3,5-difluorobenzene
CAS Number151361-87-4
PubChem CID4206806
IUPAC Name1-ethynyl-3,5-difluorobenzene
Molecular FormulaC8H4F2
Molecular Weight138.11
XLogP2.4
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity146
SMILES
C#CC1=CC(=CC(=C1)F)F
InChI
InChI=1S/C8H4F2/c1-2-6-3-7(9)5-8(10)4-6/h1,3-5H
InChIKey
OTDGZDMGSFBZLI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Ethynyl-3,5-difluorobenzene
CAS: 151361-87-4
CID: 4206806
Formula: C8H4F2
MW: 138.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight138.11
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass138.02810645
Monoisotopic Mass138.02810645
Topological Polar Surface Area0 Ų
Heavy Atom Count10
Formal Charge0
Complexity146
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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