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1352397-67-1 | 4-Methyl-6-Methoxyl-7-Iodo Indazole
CAS No: 1352397-67-1 Catalog No: AG009WJV MDL No:MFCD20923508
Product Description
Catalog Number:
AG009WJV
Chemical Name:
4-Methyl-6-Methoxyl-7-Iodo Indazole
CAS Number:
1352397-67-1
Molecular Formula:
C9H9IN2O
Molecular Weight:
288.0850
MDL Number:
MFCD20923508
IUPAC Name:
7-iodo-6-methoxy-4-methyl-1H-indazole
InChI:
InChI=1S/C9H9IN2O/c1-5-3-7(13-2)8(10)9-6(5)4-11-12-9/h3-4H,1-2H3,(H,11,12)
InChI Key:
ZJZNPRKYXOJSAA-UHFFFAOYSA-N
SMILES:
COc1cc(C)c2c(c1I)[nH]nc2
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:
2.5
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