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Home > Nitro Compounds > 833479-76-8
833479-76-8 | 5H-Pyrazolo[3,4-c]isoquinolin-5-one, 2,4-dihydro-4-(4-nitrophenyl)-
CAS No: 833479-76-8 Catalog No: AG0055M5 MDL No:
Product Description
Catalog Number:
AG0055M5
Chemical Name:
5H-Pyrazolo[3,4-c]isoquinolin-5-one, 2,4-dihydro-4-(4-nitrophenyl)-
CAS Number:
833479-76-8
Molecular Formula:
C16H10N4O3
Molecular Weight:
306.2756
IUPAC Name:
4-(4-nitrophenyl)-3H-pyrazolo[3,4-c]isoquinolin-5-one
InChI:
InChI=1S/C16H10N4O3/c21-16-13-4-2-1-3-12(13)14-9-17-18-15(14)19(16)10-5-7-11(8-6-10)20(22)23/h1-9H,(H,17,18)
InChI Key:
JKUDIWOTMLVPPC-UHFFFAOYSA-N
SMILES:
O=c1n(c2ccc(cc2)[N+](=O)[O-])c2n[nH]cc2c2c1cccc2
Properties
Complexity:
486
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.075g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
306.281g/mol
Monoisotopic Mass:
306.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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