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Home > Nitro Compounds > 167874-90-0
167874-90-0 | 1H-Indazole, 5-nitro-3-(1-piperazinyl)-
CAS No: 167874-90-0 Catalog No: AG001XOC MDL No:
Product Description
Catalog Number:
AG001XOC
Chemical Name:
1H-Indazole, 5-nitro-3-(1-piperazinyl)-
CAS Number:
167874-90-0
Molecular Formula:
C11H13N5O2
Molecular Weight:
247.2532
IUPAC Name:
5-nitro-3-piperazin-1-yl-1H-indazole
InChI:
InChI=1S/C11H13N5O2/c17-16(18)8-1-2-10-9(7-8)11(14-13-10)15-5-3-12-4-6-15/h1-2,7,12H,3-6H2,(H,13,14)
InChI Key:
GLTHCKMBVOYIIY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)c(n[nH]2)N1CCNCC1
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.107g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
247.258g/mol
Monoisotopic Mass:
247.107g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
89.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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