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2,2'-Biquinoline 99% AR

CAT: 1507-00419 00005Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1507-00419 00005Size:5 mg
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CAS Number
119-91-5

Chemical Information

2,2'-Biquinoline

structure in first source

CAS Number119-91-5
PubChem CID8412
IUPAC Name2-quinolin-2-ylquinoline
Molecular FormulaC18H12N2
Molecular Weight256.3
XLogP4.3
Topological Polar Surface Area25.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count20
Formal Charge0
Complexity297
SMILES
C1=CC=C2C(=C1)C=CC(=N2)C3=NC4=CC=CC=C4C=C3
InChI
InChI=1S/C18H12N2/c1-3-7-15-13(5-1)9-11-17(19-15)18-12-10-14-6-2-4-8-16(14)20-18/h1-12H
InChIKey
WPTCSQBWLUUYDV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,2'-Biquinoline
CAS: 119-91-5
CID: 8412
Formula: C18H12N2
MW: 256.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight256.3
XLogP34.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass256.100048391
Monoisotopic Mass256.100048391
Topological Polar Surface Area25.8 Ų
Heavy Atom Count20
Formal Charge0
Complexity297
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