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Home > Nitro Compounds > 141717-44-4
141717-44-4 | Indeno[1,2-c]pyrazol-4(1H)-one, 1-(4-nitrophenyl)-
CAS No: 141717-44-4 Catalog No: AG001GX5 MDL No:
Product Description
Catalog Number:
AG001GX5
Chemical Name:
Indeno[1,2-c]pyrazol-4(1H)-one, 1-(4-nitrophenyl)-
CAS Number:
141717-44-4
Molecular Formula:
C16H9N3O3
Molecular Weight:
291.2610
IUPAC Name:
1-(4-nitrophenyl)indeno[1,2-c]pyrazol-4-one
InChI:
InChI=1S/C16H9N3O3/c20-16-13-4-2-1-3-12(13)15-14(16)9-17-18(15)10-5-7-11(8-6-10)19(21)22/h1-9H
InChI Key:
KKYYBRRPIZRIEG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)n1ncc2c1c1ccccc1C2=O
Properties
Complexity:
470
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.064g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.266g/mol
Monoisotopic Mass:
291.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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