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Home > Nitro Compounds > 68504-22-3
68504-22-3 | 1H-Inden-1-one,3-ethyl-2-phenyl-, 2-(2,4-dinitrophenyl)hydrazone
CAS No: 68504-22-3 Catalog No: AG005PSH MDL No:
Product Description
Catalog Number:
AG005PSH
Chemical Name:
1H-Inden-1-one,3-ethyl-2-phenyl-, 2-(2,4-dinitrophenyl)hydrazone
CAS Number:
68504-22-3
Molecular Formula:
C23H18N4O4
Molecular Weight:
414.4134
IUPAC Name:
N-[(3-ethyl-2-phenylinden-1-ylidene)amino]-2,4-dinitroaniline
InChI:
InChI=1S/C23H18N4O4/c1-2-17-18-10-6-7-11-19(18)23(22(17)15-8-4-3-5-9-15)25-24-20-13-12-16(26(28)29)14-21(20)27(30)31/h3-14,24H,2H2,1H3
InChI Key:
DVYXIPNSVYKLSA-UHFFFAOYSA-N
SMILES:
CCC1=C(c2ccccc2)C(=NNc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])c2c1cccc2
Properties
Complexity:
748
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
414.133g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
414.421g/mol
Monoisotopic Mass:
414.133g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
6.3
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