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3- (9-Anthracenyl) pyridine

CAT: 0127-OR1086955Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
20308-97-8
MDL Number
MFCD30550508
Smiles
C1 (c2c (cc3c1cccc3) cccc2) c1cccnc1

Chemical Information

3-(Anthracen-9-yl)pyridine
CAS Number20308-97-8
PubChem CID264388
IUPAC Name3-anthracen-9-ylpyridine
Molecular FormulaC19H13N
Molecular Weight255.3
XLogP4.9
Topological Polar Surface Area12.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count20
Formal Charge0
Complexity304
SMILES
C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C4=CN=CC=C4
InChI
InChI=1S/C19H13N/c1-3-9-17-14(6-1)12-15-7-2-4-10-18(15)19(17)16-8-5-11-20-13-16/h1-13H
InChIKey
XVELJKVGYZEBLI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(Anthracen-9-yl)pyridine
CAS: 20308-97-8
CID: 264388
Formula: C19H13N
MW: 255.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight255.3
XLogP34.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass255.104799419
Monoisotopic Mass255.104799419
Topological Polar Surface Area12.9 Ų
Heavy Atom Count20
Formal Charge0
Complexity304
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