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113451-12-0 | 1-Propanone, 3-(4-nitrophenyl)-1-phenyl-3-(phenylamino)-
CAS No: 113451-12-0 Catalog No: AG0008MJ MDL No:
Product Description
Catalog Number:
AG0008MJ
Chemical Name:
1-Propanone, 3-(4-nitrophenyl)-1-phenyl-3-(phenylamino)-
CAS Number:
113451-12-0
Molecular Formula:
C21H18N2O3
Molecular Weight:
346.3792
IUPAC Name:
3-anilino-3-(4-nitrophenyl)-1-phenylpropan-1-one
InChI:
InChI=1S/C21H18N2O3/c24-21(17-7-3-1-4-8-17)15-20(22-18-9-5-2-6-10-18)16-11-13-19(14-12-16)23(25)26/h1-14,20,22H,15H2
InChI Key:
DIEZZGKLOLXKDC-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)CC(c1ccc(cc1)[N+](=O)[O-])Nc1ccccc1
Properties
Complexity:
456
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.132g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
346.386g/mol
Monoisotopic Mass:
346.132g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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