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42318-46-7 | 1H-Pyrazolo[1,5-a]benzimidazole(9CI)
CAS No: 42318-46-7 Catalog No: AG0072PY MDL No:
Product Description
Catalog Number:
AG0072PY
Chemical Name:
1H-Pyrazolo[1,5-a]benzimidazole(9CI)
CAS Number:
42318-46-7
Molecular Formula:
C9H7N3
Molecular Weight:
157.1720
IUPAC Name:
1H-pyrazolo[1,5-a]benzimidazole
InChI:
InChI=1S/C9H7N3/c1-2-4-8-7(3-1)11-9-5-6-10-12(8)9/h1-6,10H
InChI Key:
SCAVIRZESCFSPE-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)nc1n2[nH]cc1
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.064g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
157.176g/mol
Monoisotopic Mass:
157.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Role of conformation and electronic structure in the chemistry of ground and excited state o-pyrazolylphenylnitrenes. | Journal of the American Chemical Society 20050420 |
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