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4-Bromochlorobenzene 98.5%

CAT: 1507-0486E 00500Size: 500 mgDry Ice: NoHazardous: No
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CAT#:1507-0486E 00500Size:500 mg
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CAS Number
106-39-8
HSN Code
98020000

Chemical Information

p-Bromochlorobenzene
CAS Number106-39-8
PubChem CID7806
IUPAC Name1-bromo-4-chlorobenzene
Molecular FormulaC6H4BrCl
Molecular Weight191.45
XLogP3.7
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity66
SMILES
C1=CC(=CC=C1Cl)Br
InChI
InChI=1S/C6H4BrCl/c7-5-1-3-6(8)4-2-5/h1-4H
InChIKey
NHDODQWIKUYWMW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of p-Bromochlorobenzene
CAS: 106-39-8
CID: 7806
Formula: C6H4BrCl
MW: 191.45
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight191.45
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass189.91849
Monoisotopic Mass189.91849
Topological Polar Surface Area0 Ų
Heavy Atom Count8
Formal Charge0
Complexity66.9
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