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2-bromo-3-fluorotriphenylene

CAT: 1266-JH912806Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1266-JH912806Size:1 Each
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CAS Number
2624315-46-2
Molecular Formula
C18H10BrF
Molecular Weight
325.17

Chemical Information

2-Bromo-3-fluorotriphenylene
CAS Number2624315-46-2
PubChem CID166595013
IUPAC Name2-bromo-3-fluorotriphenylene
Molecular FormulaC18H10BrF
Molecular Weight325.2
XLogP5.7
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count20
Formal Charge0
Complexity357
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3C4=CC(=C(C=C24)F)Br
InChI
InChI=1S/C18H10BrF/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
NJSKTGXZRBGSQD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Bromo-3-fluorotriphenylene
CAS: 2624315-46-2
CID: 166595013
Formula: C18H10BrF
MW: 325.2
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight325.2
XLogP35.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass323.99499
Monoisotopic Mass323.99499
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