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87412-78-0 | 1H-Pyrazolo[3,4-d]pyrimidine, 4-(2-chlorophenyl)-1-phenyl-
CAS No: 87412-78-0 Catalog No: AG004N5E MDL No:
Product Description
Catalog Number:
AG004N5E
Chemical Name:
1H-Pyrazolo[3,4-d]pyrimidine, 4-(2-chlorophenyl)-1-phenyl-
CAS Number:
87412-78-0
Molecular Formula:
C17H11ClN4
Molecular Weight:
306.7490
IUPAC Name:
4-(2-chlorophenyl)-1-phenylpyrazolo[3,4-d]pyrimidine
InChI:
InChI=1S/C17H11ClN4/c18-15-9-5-4-8-13(15)16-14-10-21-22(17(14)20-11-19-16)12-6-2-1-3-7-12/h1-11H
InChI Key:
XSDUKHHTKFSTQR-UHFFFAOYSA-N
SMILES:
Clc1ccccc1c1ncnc2c1cnn2c1ccccc1
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.067g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.753g/mol
Monoisotopic Mass:
306.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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