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Home > Nitro Compounds > 15595-82-1
15595-82-1 | Cyclohexanone, 2-ethyl-2-phenyl-, 2-(2,4-dinitrophenyl)hydrazone
CAS No: 15595-82-1 Catalog No: AG001ODZ MDL No:
Product Description
Catalog Number:
AG001ODZ
Chemical Name:
Cyclohexanone, 2-ethyl-2-phenyl-, 2-(2,4-dinitrophenyl)hydrazone
CAS Number:
15595-82-1
Molecular Formula:
C20H22N4O4
Molecular Weight:
382.4131
IUPAC Name:
N-[(2-ethyl-2-phenylcyclohexylidene)amino]-2,4-dinitroaniline
InChI:
InChI=1S/C20H22N4O4/c1-2-20(15-8-4-3-5-9-15)13-7-6-10-19(20)22-21-17-12-11-16(23(25)26)14-18(17)24(27)28/h3-5,8-9,11-12,14,21H,2,6-7,10,13H2,1H3
InChI Key:
DDDFWQHZAHRAMW-UHFFFAOYSA-N
SMILES:
CCC1(CCCCC1=NNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])c1ccccc1
Properties
Complexity:
594
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.164g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
382.42g/mol
Monoisotopic Mass:
382.164g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
5.7
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