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1234616-46-6 | 1H-Pyrazolo[3,4-b]pyridine-1-carboxylic acid, 3-bromo-, 1,1-dimethylethyl ester
CAS No: 1234616-46-6 Catalog No: AG000KNG MDL No:MFCD17016052
Product Description
Catalog Number:
AG000KNG
Chemical Name:
1H-Pyrazolo[3,4-b]pyridine-1-carboxylic acid, 3-bromo-, 1,1-dimethylethyl ester
CAS Number:
1234616-46-6
Molecular Formula:
C11H12BrN3O2
Molecular Weight:
298.1359
MDL Number:
MFCD17016052
IUPAC Name:
tert-butyl 3-bromopyrazolo[3,4-b]pyridine-1-carboxylate
InChI:
InChI=1S/C11H12BrN3O2/c1-11(2,3)17-10(16)15-9-7(8(12)14-15)5-4-6-13-9/h4-6H,1-3H3
InChI Key:
UXDVHLTUWUHLQE-UHFFFAOYSA-N
SMILES:
Brc1nn(c2c1cccn2)C(=O)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:
297.011g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.14g/mol
Monoisotopic Mass:
297.011g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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