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3,4-Difluorophenylacetylene

CAT: 0024-sc-226233Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-226233Size:1 g
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CAS Number
143874-13-9

Chemical Information

3,4-Difluorophenylacetylene
CAS Number143874-13-9
PubChem CID13878454
IUPAC Name4-ethynyl-1,2-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
Complexity156
SMILES
C#CC1=CC(=C(C=C1)F)F
InChI
InChI=1S/C8H4F2/c1-2-6-3-4-7(9)8(10)5-6/h1,3-5H
InChIKey
XFPAOXIWRDDQGG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,4-Difluorophenylacetylene
CAS: 143874-13-9
CID: 13878454
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
Complexity156
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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PC1156-013,4-Difluorophenylacetylene
PC9898-013,5-Difluorophenylacetylene
PC999092,3-Difluorophenylacetylene
PC5004094-Bromo-2,6-difluorophenylacetylene
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