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16412-66-1 | Cyclohexanone, 4-(1,1-dimethylethyl)-2-(phenylmethyl)-, 2-(2,4-dinitrophenyl)hydrazone
CAS No: 16412-66-1 Catalog No: AG001UOJ MDL No:
Product Description
Catalog Number:
AG001UOJ
Chemical Name:
Cyclohexanone, 4-(1,1-dimethylethyl)-2-(phenylmethyl)-, 2-(2,4-dinitrophenyl)hydrazone
CAS Number:
16412-66-1
Molecular Formula:
C23H28N4O4
Molecular Weight:
424.4928
IUPAC Name:
N-[(2-benzyl-4-tert-butylcyclohexylidene)amino]-2,4-dinitroaniline
InChI:
InChI=1S/C23H28N4O4/c1-23(2,3)18-9-11-20(17(14-18)13-16-7-5-4-6-8-16)24-25-21-12-10-19(26(28)29)15-22(21)27(30)31/h4-8,10,12,15,17-18,25H,9,11,13-14H2,1-3H3
InChI Key:
FCYJQKNNOIQDPN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1NN=C1CCC(CC1Cc1ccccc1)C(C)(C)C)[N+](=O)[O-]
Properties
Complexity:
658
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
424.211g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
424.501g/mol
Monoisotopic Mass:
424.211g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
6.7
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