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Home > Bromides > 1251033-27-8
1251033-27-8 | 1H-Pyrazolo[3,4-d]pyrimidine, 3-bromo-
CAS No: 1251033-27-8 Catalog No: AG000N6Z MDL No:MFCD13193631
Product Description
Catalog Number:
AG000N6Z
Chemical Name:
1H-Pyrazolo[3,4-d]pyrimidine, 3-bromo-
CAS Number:
1251033-27-8
Molecular Formula:
C5H3BrN4
Molecular Weight:
199.0081
MDL Number:
MFCD13193631
IUPAC Name:
3-bromo-2H-pyrazolo[3,4-d]pyrimidine
InChI:
InChI=1S/C5H3BrN4/c6-4-3-1-7-2-8-5(3)10-9-4/h1-2H,(H,7,8,9,10)
InChI Key:
OHDYDXVLQKCZRK-UHFFFAOYSA-N
SMILES:
Brc1n[nH]c2c1cncn2
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.954g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.011g/mol
Monoisotopic Mass:
197.954g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| 3-Bromopyrazolo[3,4-d]pyrimidine 2'-deoxy-2'-fluoro-beta-D-arabinonucleosides: modified DNA constituents with an unusually rigid sugar N-conformation. | The Journal of organic chemistry 20030711 |
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