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2,4-dichlorobromobenzene

CAT: 0572-TRC-B419158-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B419158-500MGSize:500 mg
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CAS Number
1193-72-2
Hazard Statement
No Data Available
Smiles
Clc1ccc(Br)c(Cl)c1
Molecular Formula
C6H3BrCl2
Molecular Weight
225.9
Shipping Conditions
Room Temperature

Chemical Information

1-Bromo-2,4-dichlorobenzene
CAS Number1193-72-2
PubChem CID70947
IUPAC Name1-bromo-2,4-dichlorobenzene
Molecular FormulaC6H3BrCl2
Molecular Weight225.89
XLogP4.1
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity97
SMILES
C1=CC(=C(C=C1Cl)Cl)Br
InChI
InChI=1S/C6H3BrCl2/c7-5-2-1-4(8)3-6(5)9/h1-3H
InChIKey
ISHYFWKKWKXXPL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Bromo-2,4-dichlorobenzene
CAS: 1193-72-2
CID: 70947
Formula: C6H3BrCl2
MW: 225.89
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight225.89
XLogP34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass223.87952
Monoisotopic Mass223.87952
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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