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1,2,4-Trifluorobenzene

CAT: 0127-PC7270-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0127-PC7270-01Size:25 g
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CAS Number
367-23-7
MDL Number
MFCD00000305
Purity
99%
Smiles
Fc1ccc(F)c(F)c1

Chemical Information

1,2,4-Trifluorobenzene
CAS Number367-23-7
PubChem CID67773
IUPAC Name1,2,4-trifluorobenzene
Molecular FormulaC6H3F3
Molecular Weight132.08
XLogP2.4
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity94
SMILES
C1=CC(=C(C=C1F)F)F
InChI
InChI=1S/C6H3F3/c7-4-1-2-5(8)6(9)3-4/h1-3H
InChIKey
PEBWOGPSYUIOBP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,2,4-Trifluorobenzene
CAS: 367-23-7
CID: 67773
Formula: C6H3F3
MW: 132.08
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight132.08
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass132.01868458
Monoisotopic Mass132.01868458
Topological Polar Surface Area0 Ų
Heavy Atom Count9
Formal Charge0
Complexity94.3
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