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1393547-40-4 | 1H-Pyrazolo[3,4-d]pyrimidine, 6-chloro-3-iodo-
CAS No: 1393547-40-4 Catalog No: AG001ATF MDL No:MFCD21604208
Product Description
Catalog Number:
AG001ATF
Chemical Name:
1H-Pyrazolo[3,4-d]pyrimidine, 6-chloro-3-iodo-
CAS Number:
1393547-40-4
Molecular Formula:
C5H2ClIN4
Molecular Weight:
280.4536
MDL Number:
MFCD21604208
IUPAC Name:
6-chloro-3-iodo-2H-pyrazolo[3,4-d]pyrimidine
InChI:
InChI=1S/C5H2ClIN4/c6-5-8-1-2-3(7)10-11-4(2)9-5/h1H,(H,8,9,10,11)
InChI Key:
YUSZIWUWJGUQFX-UHFFFAOYSA-N
SMILES:
Clc1ncc2c(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:
279.901g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.453g/mol
Monoisotopic Mass:
279.901g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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