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2,5-Dichlorofluorobenzene

CAT: 0127-PC2398N-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0127-PC2398N-01Size:5 g
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CAS Number
348-59-4
Synonyms
1,4-Dichloro-2-fluorobenzene
MDL Number
MFCD00060656
Purity
98%
Smiles
Fc1cc(Cl)ccc1Cl

Chemical Information

2,5-Dichlorofluorobenzene
CAS Number348-59-4
PubChem CID136173
IUPAC Name1,4-dichloro-2-fluorobenzene
Molecular FormulaC6H3Cl2F
Molecular Weight164.99
XLogP3.4
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity97
SMILES
C1=CC(=C(C=C1Cl)F)Cl
InChI
InChI=1S/C6H3Cl2F/c7-4-1-2-5(8)6(9)3-4/h1-3H
InChIKey
BJQTYCQGIXZSNM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,5-Dichlorofluorobenzene
CAS: 348-59-4
CID: 136173
Formula: C6H3Cl2F
MW: 164.99
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight164.99
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass163.9595836
Monoisotopic Mass163.9595836
Topological Polar Surface Area0 Ų
Heavy Atom Count9
Formal Charge0
Complexity97.1
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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