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2- (4-bromophenyl) benzofuran

CAT: 0127-OR1098462Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
69976-39-2
MDL Number
MFCD19439732
Smiles
C1ccc2c (c1) cc (o2) c1ccc (cc1) Br

Chemical Information

2-(4-Bromophenyl)benzofuran
CAS Number69976-39-2
PubChem CID15193131
IUPAC Name2-(4-bromophenyl)-1-benzofuran
Molecular FormulaC14H9BrO
Molecular Weight273.12
XLogP4.7
Topological Polar Surface Area13.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count16
Formal Charge0
Complexity235
SMILES
C1=CC=C2C(=C1)C=C(O2)C3=CC=C(C=C3)Br
InChI
InChI=1S/C14H9BrO/c15-12-7-5-10(6-8-12)14-9-11-3-1-2-4-13(11)16-14/h1-9H
InChIKey
OKLLCXQQBVCIPA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-Bromophenyl)benzofuran
CAS: 69976-39-2
CID: 15193131
Formula: C14H9BrO
MW: 273.12
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight273.12
XLogP34.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass271.98368
Monoisotopic Mass271.98368
Topological Polar Surface Area13.1 Ų
Heavy Atom Count16
Formal Charge0
Complexity235
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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