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Home > Nitro Compounds > 89549-86-0
89549-86-0 | 1H-Pyrazolo[3,4-d]pyrimidine, 4-(4-nitrophenyl)-1-phenyl-
CAS No: 89549-86-0 Catalog No: AG003YDB MDL No:
Product Description
Catalog Number:
AG003YDB
Chemical Name:
1H-Pyrazolo[3,4-d]pyrimidine, 4-(4-nitrophenyl)-1-phenyl-
CAS Number:
89549-86-0
Molecular Formula:
C17H11N5O2
Molecular Weight:
317.3015
IUPAC Name:
4-(4-nitrophenyl)-1-phenylpyrazolo[3,4-d]pyrimidine
InChI:
InChI=1S/C17H11N5O2/c23-22(24)14-8-6-12(7-9-14)16-15-10-20-21(17(15)19-11-18-16)13-4-2-1-3-5-13/h1-11H
InChI Key:
GJPDVFISRLPONS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)c1ncnc2c1cnn2c1ccccc1
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.091g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.308g/mol
Monoisotopic Mass:
317.091g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
89.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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