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1000343-52-1 | 1H-Indazole, 3-iodo-5-methoxy-6-methyl-
CAS No: 1000343-52-1 Catalog No: AG0000LN MDL No:MFCD09026987
Product Description
Catalog Number:
AG0000LN
Chemical Name:
1H-Indazole, 3-iodo-5-methoxy-6-methyl-
CAS Number:
1000343-52-1
Molecular Formula:
C9H9IN2O
Molecular Weight:
288.0850
MDL Number:
MFCD09026987
IUPAC Name:
3-iodo-5-methoxy-6-methyl-2H-indazole
InChI:
InChI=1S/C9H9IN2O/c1-5-3-7-6(4-8(5)13-2)9(10)12-11-7/h3-4H,1-2H3,(H,11,12)
InChI Key:
IGWMGVJIHBEHFS-UHFFFAOYSA-N
SMILES:
COc1cc2c(I)n[nH]c2cc1C
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.976g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.088g/mol
Monoisotopic Mass:
287.976g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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