200,000+ products from a single source!
sales@angenechem.com
Home > Bromides > 1286754-61-7
1286754-61-7 | 1H-Pyrazolo[3,4-b]pyridine-1-carboxylic acid, 4-bromo-, 1,1-dimethylethyl ester
CAS No: 1286754-61-7 Catalog No: AG000YB2 MDL No:
Product Description
Catalog Number:
AG000YB2
Chemical Name:
1H-Pyrazolo[3,4-b]pyridine-1-carboxylic acid, 4-bromo-, 1,1-dimethylethyl ester
CAS Number:
1286754-61-7
Molecular Formula:
C11H12BrN3O2
Molecular Weight:
298.1359
IUPAC Name:
tert-butyl 4-bromopyrazolo[3,4-b]pyridine-1-carboxylate
InChI:
InChI=1S/C11H12BrN3O2/c1-11(2,3)17-10(16)15-9-7(6-14-15)8(12)4-5-13-9/h4-6H,1-3H3
InChI Key:
OVKLQGNUAJSUNP-UHFFFAOYSA-N
SMILES:
O=C(n1ncc2c1nccc2Br)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:
2.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.