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Home > Pyridines > 945412-74-8
945412-74-8 | 3-(4-Cyanobenzoyl)pyridine
CAS No: 945412-74-8 Catalog No: AG01EZJN MDL No:
Product Description
Catalog Number:
AG01EZJN
Chemical Name:
3-(4-Cyanobenzoyl)pyridine
CAS Number:
945412-74-8
Molecular Formula:
C13H8N2O
Molecular Weight:
208.2154
IUPAC Name:
4-(pyridine-3-carbonyl)benzonitrile
InChI:
InChI=1S/C13H8N2O/c14-8-10-3-5-11(6-4-10)13(16)12-2-1-7-15-9-12/h1-7,9H
InChI Key:
ZCLNLJWZENGLBM-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C(=O)c1cccnc1
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.064g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.22g/mol
Monoisotopic Mass:
208.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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