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1259223-95-4 | 1H-Pyrazolo[3,4-b]pyridine, 6-chloro-3-iodo-
CAS No: 1259223-95-4 Catalog No: AG000OY9 MDL No:MFCD19689160
Product Description
Catalog Number:
AG000OY9
Chemical Name:
1H-Pyrazolo[3,4-b]pyridine, 6-chloro-3-iodo-
CAS Number:
1259223-95-4
Molecular Formula:
C6H3ClIN3
Molecular Weight:
279.4656
MDL Number:
MFCD19689160
IUPAC Name:
6-chloro-3-iodo-2H-pyrazolo[3,4-b]pyridine
InChI:
InChI=1S/C6H3ClIN3/c7-4-2-1-3-5(8)10-11-6(3)9-4/h1-2H,(H,9,10,11)
InChI Key:
ZMQMWKWEXIQSJF-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(n1)[nH]nc2I
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.906g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.465g/mol
Monoisotopic Mass:
278.906g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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