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Home > Imidazoles > 802906-44-1
802906-44-1 | 2-Pyridinecarbonitrile,4-[(2-methyl-1H-imidazol-4-yl)ethynyl]-(9CI)
CAS No: 802906-44-1 Catalog No: AG00GLFW MDL No:
Product Description
Catalog Number:
AG00GLFW
Chemical Name:
2-Pyridinecarbonitrile,4-[(2-methyl-1H-imidazol-4-yl)ethynyl]-(9CI)
CAS Number:
802906-44-1
IUPAC Name:
4-[2-(2-methyl-1H-imidazol-5-yl)ethynyl]pyridine-2-carbonitrile
InChI:
InChI=1S/C12H8N4/c1-9-15-8-11(16-9)3-2-10-4-5-14-12(6-10)7-13/h4-6,8H,1H3,(H,15,16)
InChI Key:
XMVISPJKNLGHIG-UHFFFAOYSA-N
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.075g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.224g/mol
Monoisotopic Mass:
208.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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