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53829-09-7 | 4-(2-cyanopyridin-4-yl)picolinonitrile
CAS No: 53829-09-7 Catalog No: AG01DDZ8 MDL No:MFCD27925090
Product Description
Catalog Number:
AG01DDZ8
Chemical Name:
4-(2-cyanopyridin-4-yl)picolinonitrile
CAS Number:
53829-09-7
Molecular Formula:
C12H6N4
Molecular Weight:
206.2028
MDL Number:
MFCD27925090
IUPAC Name:
4-(2-cyanopyridin-4-yl)pyridine-2-carbonitrile
InChI:
InChI=1S/C12H6N4/c13-7-11-5-9(1-3-15-11)10-2-4-16-12(6-10)8-14/h1-6H
InChI Key:
JUBACFMBYWFAJC-UHFFFAOYSA-N
SMILES:
N#Cc1nccc(c1)c1ccnc(c1)C#N
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.059g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.208g/mol
Monoisotopic Mass:
206.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
73.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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