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Home > Bromides > 1309778-79-7
1309778-79-7 | 1H-Pyrazolo[3,4-b]pyridine, 5-bromo-3-(methylsulfonyl)-
CAS No: 1309778-79-7 Catalog No: AG000V6O MDL No:
Product Description
Catalog Number:
AG000V6O
Chemical Name:
1H-Pyrazolo[3,4-b]pyridine, 5-bromo-3-(methylsulfonyl)-
CAS Number:
1309778-79-7
Molecular Formula:
C7H6BrN3O2S
Molecular Weight:
276.1104
IUPAC Name:
5-bromo-3-methylsulfonyl-2H-pyrazolo[3,4-b]pyridine
InChI:
InChI=1S/C7H6BrN3O2S/c1-14(12,13)7-5-2-4(8)3-9-6(5)10-11-7/h2-3H,1H3,(H,9,10,11)
InChI Key:
MRXBHFACEZMMOY-UHFFFAOYSA-N
SMILES:
Brc1cnc2c(c1)c(n[nH]2)S(=O)(=O)C
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.936g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.108g/mol
Monoisotopic Mass:
274.936g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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