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Home > Pyridines > 1909324-80-6
1909324-80-6 | 3-methyl-1-(oxan-4-yl)-1H-pyrazolo[3,4-b]pyridine-5-sulfonyl chloride
CAS No: 1909324-80-6 Catalog No: AG01C12B MDL No:MFCD29047242
Product Description
Catalog Number:
AG01C12B
Chemical Name:
3-methyl-1-(oxan-4-yl)-1H-pyrazolo[3,4-b]pyridine-5-sulfonyl chloride
CAS Number:
1909324-80-6
Molecular Formula:
C12H14ClN3O3S
Molecular Weight:
315.7759
MDL Number:
MFCD29047242
IUPAC Name:
3-methyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-sulfonyl chloride
InChI:
InChI=1S/C12H14ClN3O3S/c1-8-11-6-10(20(13,17)18)7-14-12(11)16(15-8)9-2-4-19-5-3-9/h6-7,9H,2-5H2,1H3
InChI Key:
JQVMHRRISOLIHU-UHFFFAOYSA-N
SMILES:
Cc1nn(c2c1cc(cn2)S(=O)(=O)Cl)C1CCOCC1
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.044g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.772g/mol
Monoisotopic Mass:
315.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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