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Home > Nitro Compounds > 113451-18-6
113451-18-6 | 1,5-Pentanedione, 3-(4-nitrophenyl)-1,5-diphenyl-
CAS No: 113451-18-6 Catalog No: AG0008MI MDL No:
Product Description
Catalog Number:
AG0008MI
Chemical Name:
1,5-Pentanedione, 3-(4-nitrophenyl)-1,5-diphenyl-
CAS Number:
113451-18-6
Molecular Formula:
C23H19NO4
Molecular Weight:
373.4013
IUPAC Name:
3-(4-nitrophenyl)-1,5-diphenylpentane-1,5-dione
InChI:
InChI=1S/C23H19NO4/c25-22(18-7-3-1-4-8-18)15-20(16-23(26)19-9-5-2-6-10-19)17-11-13-21(14-12-17)24(27)28/h1-14,20H,15-16H2
InChI Key:
ADJRKISOFIMCQB-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)CC(c1ccc(cc1)[N+](=O)[O-])CC(=O)c1ccccc1
Properties
Complexity:
503
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.131g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
373.408g/mol
Monoisotopic Mass:
373.131g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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