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1268816-48-3 | 1H-Indazole, 5-(methylsulfonyl)-
CAS No: 1268816-48-3 Catalog No: AG000TF9 MDL No:MFCD13190321
Product Description
Catalog Number:
AG000TF9
Chemical Name:
1H-Indazole, 5-(methylsulfonyl)-
CAS Number:
1268816-48-3
Molecular Formula:
C8H8N2O2S
Molecular Weight:
196.2263
MDL Number:
MFCD13190321
IUPAC Name:
5-methylsulfonyl-1H-indazole
InChI:
InChI=1S/C8H8N2O2S/c1-13(11,12)7-2-3-8-6(4-7)5-9-10-8/h2-5H,1H3,(H,9,10)
InChI Key:
VLCCXHFNVCNWPU-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)c1ccc2c(c1)cn[nH]2
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.031g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.224g/mol
Monoisotopic Mass:
196.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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