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14051-47-9 | 1H-Pyrazole-4-diazonium, 2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-
CAS No: 14051-47-9 Catalog No: AG001CJJ MDL No:
Product Description
Catalog Number:
AG001CJJ
Chemical Name:
1H-Pyrazole-4-diazonium, 2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-
CAS Number:
14051-47-9
Molecular Formula:
C11H11N4O+
Molecular Weight:
215.2312
IUPAC Name:
1,5-dimethyl-3-oxo-2-phenylpyrazole-4-diazonium
InChI:
InChI=1S/C11H11N4O/c1-8-10(13-12)11(16)15(14(8)2)9-6-4-3-5-7-9/h3-7H,1-2H3/q+1
InChI Key:
YRLGOOQLYNOCCK-UHFFFAOYSA-N
SMILES:
N#[N+]c1c(C)n(n(c1=O)c1ccccc1)C
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.093g/mol
Formal Charge:
1
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.236g/mol
Monoisotopic Mass:
215.093g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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