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821785-58-4 | 1,2-Cyclohexanediamine, N,N'-bis[(3-nitrophenyl)methylene]-, (1R,2R)-
CAS No: 821785-58-4 Catalog No: AG00578N MDL No:
Product Description
Catalog Number:
AG00578N
Chemical Name:
1,2-Cyclohexanediamine, N,N'-bis[(3-nitrophenyl)methylene]-, (1R,2R)-
CAS Number:
821785-58-4
Molecular Formula:
C20H20N4O4
Molecular Weight:
380.3972
IUPAC Name:
1-(3-nitrophenyl)-N-[(1R,2R)-2-[(3-nitrophenyl)methylideneamino]cyclohexyl]methanimine
InChI:
InChI=1S/C20H20N4O4/c25-23(26)17-7-3-5-15(11-17)13-21-19-9-1-2-10-20(19)22-14-16-6-4-8-18(12-16)24(27)28/h3-8,11-14,19-20H,1-2,9-10H2/t19-,20-/m1/s1
InChI Key:
BUVWLXJOISQWFF-WOJBJXKFSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)C=N[C@@H]1CCCC[C@H]1N=Cc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
546
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
380.148g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
380.404g/mol
Monoisotopic Mass:
380.148g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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