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Home > Nitro Compounds > 142055-59-2
142055-59-2 | Ethanone, 1-[3-methyl-5-(2-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]-
CAS No: 142055-59-2 Catalog No: AG001HO0 MDL No:MFCD00100680
Product Description
Catalog Number:
AG001HO0
Chemical Name:
Ethanone, 1-[3-methyl-5-(2-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]-
CAS Number:
142055-59-2
Molecular Formula:
C18H15N3O3
Molecular Weight:
321.3300
MDL Number:
MFCD00100680
IUPAC Name:
1-[3-methyl-5-(2-nitrophenyl)-1-phenylpyrazol-4-yl]ethanone
InChI:
InChI=1S/C18H15N3O3/c1-12-17(13(2)22)18(15-10-6-7-11-16(15)21(23)24)20(19-12)14-8-4-3-5-9-14/h3-11H,1-2H3
InChI Key:
BLONEGBCAUDOMU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1c1c(C(=O)C)c(nn1c1ccccc1)C
Properties
Complexity:
473
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.111g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.336g/mol
Monoisotopic Mass:
321.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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