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Home > Nitro Compounds > 88796-42-3
88796-42-3 | Methanone, (6-nitro-1-phenyl-1H-pyrazolo[4,3-b]pyridin-3-yl)phenyl-
CAS No: 88796-42-3 Catalog No: AG004CTL MDL No:
Product Description
Catalog Number:
AG004CTL
Chemical Name:
Methanone, (6-nitro-1-phenyl-1H-pyrazolo[4,3-b]pyridin-3-yl)phenyl-
CAS Number:
88796-42-3
Molecular Formula:
C19H12N4O3
Molecular Weight:
344.3236
IUPAC Name:
(6-nitro-1-phenylpyrazolo[4,3-b]pyridin-3-yl)-phenylmethanone
InChI:
InChI=1S/C19H12N4O3/c24-19(13-7-3-1-4-8-13)18-17-16(11-15(12-20-17)23(25)26)22(21-18)14-9-5-2-6-10-14/h1-12H
InChI Key:
VKMXDFMQIJRVQC-UHFFFAOYSA-N
SMILES:
O=C(c1nn(c2c1ncc(c2)[N+](=O)[O-])c1ccccc1)c1ccccc1
Properties
Complexity:
525
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.091g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
344.33g/mol
Monoisotopic Mass:
344.091g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
93.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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