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906000-45-1 | 3-Iodo-1H-indazole-6-carboxamide
CAS No: 906000-45-1 Catalog No: AG006O2Y MDL No:MFCD13176890
Product Description
Catalog Number:
AG006O2Y
Chemical Name:
3-Iodo-1H-indazole-6-carboxamide
CAS Number:
906000-45-1
Molecular Formula:
C8H6IN3O
Molecular Weight:
287.0572
MDL Number:
MFCD13176890
IUPAC Name:
3-iodo-2H-indazole-6-carboxamide
InChI:
InChI=1S/C8H6IN3O/c9-7-5-2-1-4(8(10)13)3-6(5)11-12-7/h1-3H,(H2,10,13)(H,11,12)
InChI Key:
FWMQTBFFHKZQKF-UHFFFAOYSA-N
SMILES:
NC(=O)c1ccc2c(c1)[nH]nc2I
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.956g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
287.06g/mol
Monoisotopic Mass:
286.956g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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