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2-Bromo-3-chlorotriphenylene

CAT: 0127-OR1051139Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1051139Size:250 mg
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CAS Number
2485777-28-2
Purity
95%
Smiles
ClC1=C(Br)C=C2C3=CC=CC=C3C4=CC=CC=C4C2=C1

Chemical Information

2-Bromo-3-chlorotriphenylene
CAS Number2485777-28-2
PubChem CID155120623
IUPAC Name2-bromo-3-chlorotriphenylene
Molecular FormulaC18H10BrCl
Molecular Weight341.6
XLogP6.2
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count20
Formal Charge0
Complexity357
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3C4=CC(=C(C=C24)Cl)Br
InChI
InChI=1S/C18H10BrCl/c19-17-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)16(15)10-18(17)20/h1-10H
InChIKey
CVSGYDCZRGUZPW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Bromo-3-chlorotriphenylene
CAS: 2485777-28-2
CID: 155120623
Formula: C18H10BrCl
MW: 341.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight341.6
XLogP36.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass339.96544
Monoisotopic Mass339.96544
Topological Polar Surface Area0 Ų
Heavy Atom Count20
Formal Charge0
Complexity357
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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