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252048-83-2 | Phenol, 2,4-bis(1,1-dimethylethyl)-6-[(8-quinolinylimino)methyl]-
CAS No: 252048-83-2 Catalog No: AG002QX5 MDL No:
Product Description
Catalog Number:
AG002QX5
Chemical Name:
Phenol, 2,4-bis(1,1-dimethylethyl)-6-[(8-quinolinylimino)methyl]-
CAS Number:
252048-83-2
Molecular Formula:
C24H28N2O
Molecular Weight:
360.4919
IUPAC Name:
2,4-ditert-butyl-6-(quinolin-8-yliminomethyl)phenol
InChI:
InChI=1S/C24H28N2O/c1-23(2,3)18-13-17(22(27)19(14-18)24(4,5)6)15-26-20-11-7-9-16-10-8-12-25-21(16)20/h7-15,27H,1-6H3
InChI Key:
UVCBNXPFVJTUNJ-UHFFFAOYSA-N
SMILES:
Oc1c(C=Nc2cccc3c2nccc3)cc(cc1C(C)(C)C)C(C)(C)C
Properties
Complexity:
516
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.22g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
360.501g/mol
Monoisotopic Mass:
360.22g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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