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885522-63-4 | 3-Iodo-4-methyl-1H-indazole
CAS No: 885522-63-4 Catalog No: AG004F18 MDL No:MFCD07781537
Product Description
Catalog Number:
AG004F18
Chemical Name:
3-Iodo-4-methyl-1H-indazole
CAS Number:
885522-63-4
Molecular Formula:
C8H7IN2
Molecular Weight:
258.0591
MDL Number:
MFCD07781537
IUPAC Name:
3-iodo-4-methyl-2H-indazole
InChI:
InChI=1S/C8H7IN2/c1-5-3-2-4-6-7(5)8(9)11-10-6/h2-4H,1H3,(H,10,11)
InChI Key:
PXSVQQMMVAVJNA-UHFFFAOYSA-N
SMILES:
Cc1cccc2c1c(I)n[nH]2
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.965g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.062g/mol
Monoisotopic Mass:
257.965g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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