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Home > Nitro Compounds > 75141-81-0
75141-81-0 | 1-Butanone, 4-nitro-3-(4-nitrophenyl)-1-phenyl-
CAS No: 75141-81-0 Catalog No: AG0056KM MDL No:
Product Description
Catalog Number:
AG0056KM
Chemical Name:
1-Butanone, 4-nitro-3-(4-nitrophenyl)-1-phenyl-
CAS Number:
75141-81-0
Molecular Formula:
C16H14N2O5
Molecular Weight:
314.2928
IUPAC Name:
4-nitro-3-(4-nitrophenyl)-1-phenylbutan-1-one
InChI:
InChI=1S/C16H14N2O5/c19-16(13-4-2-1-3-5-13)10-14(11-17(20)21)12-6-8-15(9-7-12)18(22)23/h1-9,14H,10-11H2
InChI Key:
VQNGFFCDFCPMQU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)CC(c1ccc(cc1)[N+](=O)[O-])CC(=O)c1ccccc1
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.09g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.297g/mol
Monoisotopic Mass:
314.09g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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