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189113-33-5 | Imidazo[1,2-a]pyridine, 2-[(1H-1,2,4-triazol-3-ylsulfonyl)methyl]-
CAS No: 189113-33-5 Catalog No: AG007R27 MDL No:
Product Description
Catalog Number:
AG007R27
Chemical Name:
Imidazo[1,2-a]pyridine, 2-[(1H-1,2,4-triazol-3-ylsulfonyl)methyl]-
CAS Number:
189113-33-5
Molecular Formula:
C10H9N5O2S
Molecular Weight:
263.2758
IUPAC Name:
2-(1H-1,2,4-triazol-5-ylsulfonylmethyl)imidazo[1,2-a]pyridine
InChI:
InChI=1S/C10H9N5O2S/c16-18(17,10-11-7-12-14-10)6-8-5-15-4-2-1-3-9(15)13-8/h1-5,7H,6H2,(H,11,12,14)
InChI Key:
UKBMMSYLNDPGFW-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1nc[nH]n1)Cc1nc2n(c1)cccc2
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.048g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.275g/mol
Monoisotopic Mass:
263.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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