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885521-22-2 | 3-Iodo-4-nitro-1H-indazole
CAS No: 885521-22-2 Catalog No: AG004D75 MDL No:MFCD07781574
Product Description
Catalog Number:
AG004D75
Chemical Name:
3-Iodo-4-nitro-1H-indazole
CAS Number:
885521-22-2
Molecular Formula:
C7H4IN3O2
Molecular Weight:
289.0300
MDL Number:
MFCD07781574
IUPAC Name:
3-iodo-4-nitro-2H-indazole
InChI:
InChI=1S/C7H4IN3O2/c8-7-6-4(9-10-7)2-1-3-5(6)11(12)13/h1-3H,(H,9,10)
InChI Key:
AOTAXYVEONHYHY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc2c1c(I)n[nH]2
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:
2.1
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