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1,3-Dichloroperfluorobenzene

CAT: 0127-PC2513Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
1198-61-4
Synonyms
1,3-Dichlorotetrafluorobenzene
MDL Number
MFCD00075193
Purity
98%
Smiles
Fc1c(F)c(Cl)c(F)c(Cl)c1F

Chemical Information

1,3-Dichloro-2,4,5,6-tetrafluorobenzene
CAS Number1198-61-4
PubChem CID70977
IUPAC Name1,3-dichloro-2,4,5,6-tetrafluorobenzene
Molecular FormulaC6Cl2F4
Molecular Weight218.96
XLogP3.6
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity152
SMILES
C1(=C(C(=C(C(=C1F)Cl)F)Cl)F)F
InChI
InChI=1S/C6Cl2F4/c7-1-3(9)2(8)5(11)6(12)4(1)10
InChIKey
LFIJIYWQWRQWQC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,3-Dichloro-2,4,5,6-tetrafluorobenzene
CAS: 1198-61-4
CID: 70977
Formula: C6Cl2F4
MW: 218.96
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight218.96
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass217.9313180
Monoisotopic Mass217.9313180
Topological Polar Surface Area0 Ų
Heavy Atom Count12
Formal Charge0
Complexity152
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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