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155601-71-1 | 1H-Pyrazolo[3,4-b]pyridine-3-carboxylic acid, 6-fluoro-, 1,1-dimethylethyl ester
CAS No: 155601-71-1 Catalog No: AG001O26 MDL No:MFCD06797502
Product Description
Catalog Number:
AG001O26
Chemical Name:
1H-Pyrazolo[3,4-b]pyridine-3-carboxylic acid, 6-fluoro-, 1,1-dimethylethyl ester
CAS Number:
155601-71-1
Molecular Formula:
C11H12FN3O2
Molecular Weight:
237.2303
MDL Number:
MFCD06797502
IUPAC Name:
tert-butyl 6-fluoro-2H-pyrazolo[3,4-b]pyridine-3-carboxylate
InChI:
InChI=1S/C11H12FN3O2/c1-11(2,3)17-10(16)8-6-4-5-7(12)13-9(6)15-14-8/h4-5H,1-3H3,(H,13,14,15)
InChI Key:
INGAFDNQIOIZHC-UHFFFAOYSA-N
SMILES:
O=C(c1n[nH]c2c1ccc(n2)F)OC(C)(C)C
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.091g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.234g/mol
Monoisotopic Mass:
237.091g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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