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1822825-50-2 | 1H-Pyrazolo[3,4-d]pyrimidine-1-carboxylic acid, 3-bromo-, 1,1-dimethylethyl ester
CAS No: 1822825-50-2 Catalog No: AG0023JO MDL No:
Product Description
Catalog Number:
AG0023JO
Chemical Name:
1H-Pyrazolo[3,4-d]pyrimidine-1-carboxylic acid, 3-bromo-, 1,1-dimethylethyl ester
CAS Number:
1822825-50-2
Molecular Formula:
C10H11BrN4O2
Molecular Weight:
299.1239
IUPAC Name:
tert-butyl 3-bromopyrazolo[3,4-d]pyrimidine-1-carboxylate
InChI:
InChI=1S/C10H11BrN4O2/c1-10(2,3)17-9(16)15-8-6(7(11)14-15)4-12-5-13-8/h4-5H,1-3H3
InChI Key:
MVGRNPWBKMNORX-UHFFFAOYSA-N
SMILES:
Brc1nn(c2c1cncn2)C(=O)OC(C)(C)C
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.007g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.128g/mol
Monoisotopic Mass:
298.007g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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