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832733-20-7 | Pyridinium, 1-(5-phenyl-1H-pyrazol-1-yl)-
CAS No: 832733-20-7 Catalog No: AG0056HF MDL No:
Product Description
Catalog Number:
AG0056HF
Chemical Name:
Pyridinium, 1-(5-phenyl-1H-pyrazol-1-yl)-
CAS Number:
832733-20-7
Molecular Formula:
C14H12N3+
Molecular Weight:
222.2652
IUPAC Name:
1-(5-phenylpyrazol-1-yl)pyridin-1-ium
InChI:
InChI=1S/C14H12N3/c1-3-7-13(8-4-1)14-9-10-15-17(14)16-11-5-2-6-12-16/h1-12H/q+1
InChI Key:
ATFZSGYCXPAQMA-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1ccnn1[n+]1ccccc1
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.103g/mol
Formal Charge:
1
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.271g/mol
Monoisotopic Mass:
222.103g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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