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1190314-50-1 | 1H-Indazole, 3-iodo-6-methoxy-7-methyl-
CAS No: 1190314-50-1 Catalog No: AG000HMD MDL No:
Product Description
Catalog Number:
AG000HMD
Chemical Name:
1H-Indazole, 3-iodo-6-methoxy-7-methyl-
CAS Number:
1190314-50-1
Molecular Formula:
C9H9IN2O
Molecular Weight:
288.0850
IUPAC Name:
3-iodo-6-methoxy-7-methyl-2H-indazole
InChI:
InChI=1S/C9H9IN2O/c1-5-7(13-2)4-3-6-8(5)11-12-9(6)10/h3-4H,1-2H3,(H,11,12)
InChI Key:
BCDXQRCWFZHBDB-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1C)[nH]nc2I
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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