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3-Bromoiodobenzene

CAT: 0024-sc-231550Size: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-231550Size:5 g
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CAS Number
591-18-4

Chemical Information

Benzene, 1-bromo-3-iodo-
CAS Number591-18-4
PubChem CID11561
IUPAC Name1-bromo-3-iodobenzene
Molecular FormulaC6H4BrI
Molecular Weight282.90
XLogP4
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity74
SMILES
C1=CC(=CC(=C1)I)Br
InChI
InChI=1S/C6H4BrI/c7-5-2-1-3-6(8)4-5/h1-4H
InChIKey
CTPUUDQIXKUAMO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzene, 1-bromo-3-iodo-
CAS: 591-18-4
CID: 11561
Formula: C6H4BrI
MW: 282.90
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight282.90
XLogP34
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass281.85411
Monoisotopic Mass281.85411
Topological Polar Surface Area0 Ų
Heavy Atom Count8
Formal Charge0
Complexity74.9
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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