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2- (3,4-Dichlorophenyl) -benzofuran

CAT: 0127-OR340164Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
65246-48-2
MDL Number
MFCD28154772
Purity
=95%
Smiles
Clc1ccc(cc1Cl)c2oc3ccccc3c2

Chemical Information

2-(3,4-Dichlorophenyl)benzofuran
CAS Number65246-48-2
PubChem CID12391455
IUPAC Name2-(3,4-dichlorophenyl)-1-benzofuran
Molecular FormulaC14H8Cl2O
Molecular Weight263.1
XLogP5.2
Topological Polar Surface Area13.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count17
Formal Charge0
Complexity271
SMILES
C1=CC=C2C(=C1)C=C(O2)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C14H8Cl2O/c15-11-6-5-10(7-12(11)16)14-8-9-3-1-2-4-13(9)17-14/h1-8H
InChIKey
LOUGXYWAJKJWGB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(3,4-Dichlorophenyl)benzofuran
CAS: 65246-48-2
CID: 12391455
Formula: C14H8Cl2O
MW: 263.1
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight263.1
XLogP35.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass261.9952203
Monoisotopic Mass261.9952203
Topological Polar Surface Area13.1 Ų
Heavy Atom Count17
Formal Charge0
Complexity271
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