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1000343-40-7 | 1H-Indazol-5-amine, 3-iodo-6-methyl-
CAS No: 1000343-40-7 Catalog No: AG0000LV MDL No:
Product Description
Catalog Number:
AG0000LV
Chemical Name:
1H-Indazol-5-amine, 3-iodo-6-methyl-
CAS Number:
1000343-40-7
Molecular Formula:
C8H8IN3
Molecular Weight:
273.0737
IUPAC Name:
3-iodo-6-methyl-2H-indazol-5-amine
InChI:
InChI=1S/C8H8IN3/c1-4-2-7-5(3-6(4)10)8(9)12-11-7/h2-3H,10H2,1H3,(H,11,12)
InChI Key:
KHCABMPYPIFRLE-UHFFFAOYSA-N
SMILES:
Cc1cc2[nH]nc(c2cc1N)I
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.976g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
273.077g/mol
Monoisotopic Mass:
272.976g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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