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875781-18-3 | 5-Bromo-3-iodo-1H-pyrazolo[3,4-b]pyridine
CAS No: 875781-18-3 Catalog No: AG003MIE MDL No:MFCD09878697
Product Description
Catalog Number:
AG003MIE
Chemical Name:
5-Bromo-3-iodo-1H-pyrazolo[3,4-b]pyridine
CAS Number:
875781-18-3
Molecular Formula:
C6H3BrIN3
Molecular Weight:
323.9166
MDL Number:
MFCD09878697
IUPAC Name:
5-bromo-3-iodo-2H-pyrazolo[3,4-b]pyridine
InChI:
InChI=1S/C6H3BrIN3/c7-3-1-4-5(8)10-11-6(4)9-2-3/h1-2H,(H,9,10,11)
InChI Key:
ZBPXFBHBTCYAQS-UHFFFAOYSA-N
SMILES:
Brc1cnc2c(c1)c(I)n[nH]2
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.856g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
323.919g/mol
Monoisotopic Mass:
322.856g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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