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Home > Other Heterocycles > 539834-19-0
539834-19-0 | 6,6'-(((1R,2R,4R,5R)-Bicyclo[2.2.1]heptane-2,5-diylbis(azanylylidene))bis(methanylylidene))bis(2,4-di-tert-butylphenol)
CAS No: 539834-19-0 Catalog No: AG003BH2 MDL No:
Product Description
Catalog Number:
AG003BH2
Chemical Name:
6,6'-(((1R,2R,4R,5R)-Bicyclo[2.2.1]heptane-2,5-diylbis(azanylylidene))bis(methanylylidene))bis(2,4-di-tert-butylphenol)
CAS Number:
539834-19-0
Molecular Formula:
C37H54N2O2
Molecular Weight:
558.8369
IUPAC Name:
2,4-ditert-butyl-6-[[5-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-2-bicyclo[2.2.1]heptanyl]iminomethyl]phenol
InChI:
InChI=1S/C37H54N2O2/c1-34(2,3)26-14-24(32(40)28(18-26)36(7,8)9)20-38-30-16-23-13-22(30)17-31(23)39-21-25-15-27(35(4,5)6)19-29(33(25)41)37(10,11)12/h14-15,18-23,30-31,40-41H,13,16-17H2,1-12H3
InChI Key:
WDMYJUKMBXUTIA-UHFFFAOYSA-N
SMILES:
Oc1c(/C=N/C2CC3CC2CC3/N=C/c2cc(cc(c2O)C(C)(C)C)C(C)(C)C)cc(cc1C(C)(C)C)C(C)(C)C
Properties
Complexity:
866
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
558.419g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
558.851g/mol
Monoisotopic Mass:
558.419g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
9.9
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