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944904-29-4 | 3-Iodo-5,6-dimethoxy-1H-indazole
CAS No: 944904-29-4 Catalog No: AG006AAY MDL No:
Product Description
Catalog Number:
AG006AAY
Chemical Name:
3-Iodo-5,6-dimethoxy-1H-indazole
CAS Number:
944904-29-4
Molecular Formula:
C9H9IN2O2
Molecular Weight:
304.0844
IUPAC Name:
3-iodo-5,6-dimethoxy-2H-indazole
InChI:
InChI=1S/C9H9IN2O2/c1-13-7-3-5-6(4-8(7)14-2)11-12-9(5)10/h3-4H,1-2H3,(H,11,12)
InChI Key:
GDKOKWILNDGZBR-UHFFFAOYSA-N
SMILES:
COc1cc2c(I)n[nH]c2cc1OC
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.971g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
304.087g/mol
Monoisotopic Mass:
303.971g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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