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Home > Nitro Compounds > 1245648-33-2
1245648-33-2 | 1H-Indazole, 5-nitro-3-(4-pyridinyl)-
CAS No: 1245648-33-2 Catalog No: AG000MCP MDL No:MFCD17013090
Product Description
Catalog Number:
AG000MCP
Chemical Name:
1H-Indazole, 5-nitro-3-(4-pyridinyl)-
CAS Number:
1245648-33-2
Molecular Formula:
C12H8N4O2
Molecular Weight:
240.2175
MDL Number:
MFCD17013090
IUPAC Name:
5-nitro-3-pyridin-4-yl-1H-indazole
InChI:
InChI=1S/C12H8N4O2/c17-16(18)9-1-2-11-10(7-9)12(15-14-11)8-3-5-13-6-4-8/h1-7H,(H,14,15)
InChI Key:
NXGOHIPRXHGBMP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)c(n[nH]2)c1ccncc1
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.065g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.222g/mol
Monoisotopic Mass:
240.065g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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