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1378878-71-7 | 1H-?Pyrazolo[3,?4-?d]?pyrimidine-?3-?carboxaldehyde, 4,?6-?dichloro-
CAS No: 1378878-71-7 Catalog No: AG01DXKX MDL No:
Product Description
Catalog Number:
AG01DXKX
Chemical Name:
1H-?Pyrazolo[3,?4-?d]?pyrimidine-?3-?carboxaldehyde, 4,?6-?dichloro-
CAS Number:
1378878-71-7
IUPAC Name:
4,6-dichloro-2H-pyrazolo[3,4-d]pyrimidine-3-carbaldehyde
InChI:
InChI=1S/C6H2Cl2N4O/c7-4-3-2(1-13)11-12-5(3)10-6(8)9-4/h1H,(H,9,10,11,12)
InChI Key:
MRLQQIVPWLJATN-UHFFFAOYSA-N
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.961g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.009g/mol
Monoisotopic Mass:
215.961g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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