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Home > Pyridines > 144223-31-4
144223-31-4 | Methanone, 1H-benzotriazol-1-yl-4-pyridinyl-
CAS No: 144223-31-4 Catalog No: AG001J4N MDL No:
Product Description
Catalog Number:
AG001J4N
Chemical Name:
Methanone, 1H-benzotriazol-1-yl-4-pyridinyl-
CAS Number:
144223-31-4
Molecular Formula:
C12H8N4O
Molecular Weight:
224.2181
IUPAC Name:
benzotriazol-1-yl(pyridin-4-yl)methanone
InChI:
InChI=1S/C12H8N4O/c17-12(9-5-7-13-8-6-9)16-11-4-2-1-3-10(11)14-15-16/h1-8H
InChI Key:
FVEXIHSMWMFMRK-UHFFFAOYSA-N
SMILES:
O=C(n1nnc2c1cccc2)c1ccncc1
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.07g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.223g/mol
Monoisotopic Mass:
224.07g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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