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1167056-40-7 | 1H-Indazole, 5-iodo-7-nitro-
CAS No: 1167056-40-7 Catalog No: AG000D32 MDL No:
Product Description
Catalog Number:
AG000D32
Chemical Name:
1H-Indazole, 5-iodo-7-nitro-
CAS Number:
1167056-40-7
Molecular Formula:
C7H4IN3O2
Molecular Weight:
289.0300
IUPAC Name:
5-iodo-7-nitro-1H-indazole
InChI:
InChI=1S/C7H4IN3O2/c8-5-1-4-3-9-10-7(4)6(2-5)11(12)13/h1-3H,(H,9,10)
InChI Key:
NXDZVOSGNJYFLG-UHFFFAOYSA-N
SMILES:
Ic1cc2cn[nH]c2c(c1)[N+](=O)[O-]
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.935g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.032g/mol
Monoisotopic Mass:
288.935g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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