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Home > Pyridines > 1909317-31-2
1909317-31-2 | 3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-5-sulfonyl chloride
CAS No: 1909317-31-2 Catalog No: AG01C12A MDL No:MFCD29060268
Product Description
Catalog Number:
AG01C12A
Chemical Name:
3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-5-sulfonyl chloride
CAS Number:
1909317-31-2
Molecular Formula:
C13H10ClN3O2S
Molecular Weight:
307.7554
MDL Number:
MFCD29060268
IUPAC Name:
3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-sulfonyl chloride
InChI:
InChI=1S/C13H10ClN3O2S/c1-9-12-7-11(20(14,18)19)8-15-13(12)17(16-9)10-5-3-2-4-6-10/h2-8H,1H3
InChI Key:
DVIFUBNCZGWRES-UHFFFAOYSA-N
SMILES:
Cc1nn(c2c1cc(cn2)S(=O)(=O)Cl)c1ccccc1
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.018g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.752g/mol
Monoisotopic Mass:
307.018g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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