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1159982-24-7 | 1H-Pyrazolo[3,4-b]pyridine-3-carboxylic acid, 6-fluoro-1-methyl-, 1,1-dimethylethyl ester
CAS No: 1159982-24-7 Catalog No: AG000HFC MDL No:MFCD12026434
Product Description
Catalog Number:
AG000HFC
Chemical Name:
1H-Pyrazolo[3,4-b]pyridine-3-carboxylic acid, 6-fluoro-1-methyl-, 1,1-dimethylethyl ester
CAS Number:
1159982-24-7
Molecular Formula:
C12H14FN3O2
Molecular Weight:
251.2569
MDL Number:
MFCD12026434
IUPAC Name:
tert-butyl 6-fluoro-1-methylpyrazolo[3,4-b]pyridine-3-carboxylate
InChI:
InChI=1S/C12H14FN3O2/c1-12(2,3)18-11(17)9-7-5-6-8(13)14-10(7)16(4)15-9/h5-6H,1-4H3
InChI Key:
BHHNIMRBARWWPD-UHFFFAOYSA-N
SMILES:
O=C(c1nn(c2c1ccc(n2)F)C)OC(C)(C)C
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.107g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.261g/mol
Monoisotopic Mass:
251.107g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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