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821794-48-3 | 1-Propanone, 3-[(4-methoxy-2-nitrophenyl)amino]-1,3-diphenyl-
CAS No: 821794-48-3 Catalog No: AG0050LY MDL No:
Product Description
Catalog Number:
AG0050LY
Chemical Name:
1-Propanone, 3-[(4-methoxy-2-nitrophenyl)amino]-1,3-diphenyl-
CAS Number:
821794-48-3
Molecular Formula:
C22H20N2O4
Molecular Weight:
376.4052
IUPAC Name:
3-(4-methoxy-2-nitroanilino)-1,3-diphenylpropan-1-one
InChI:
InChI=1S/C22H20N2O4/c1-28-18-12-13-19(21(14-18)24(26)27)23-20(16-8-4-2-5-9-16)15-22(25)17-10-6-3-7-11-17/h2-14,20,23H,15H2,1H3
InChI Key:
NYNJDBCHJUNZFV-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)[N+](=O)[O-])NC(c1ccccc1)CC(=O)c1ccccc1
Properties
Complexity:
509
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.142g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
376.412g/mol
Monoisotopic Mass:
376.142g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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