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338403-44-4 | N~5~-(4-chlorophenyl)-5H-pyrazolo[3,4-d]pyrimidine-4,5-diamine
CAS No: 338403-44-4 Catalog No: AG01FOM2 MDL No:
Product Description
Catalog Number:
AG01FOM2
Chemical Name:
N~5~-(4-chlorophenyl)-5H-pyrazolo[3,4-d]pyrimidine-4,5-diamine
CAS Number:
338403-44-4
IUPAC Name:
N-(4-chlorophenyl)-4-imino-1H-pyrazolo[3,4-d]pyrimidin-5-amine
InChI:
InChI=1S/C11H9ClN6/c12-7-1-3-8(4-2-7)17-18-6-14-11-9(10(18)13)5-15-16-11/h1-6,13,17H,(H,15,16)
InChI Key:
ZDAOXOKCPIMWTP-UHFFFAOYSA-N
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.058g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
260.685g/mol
Monoisotopic Mass:
260.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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