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819798-89-5 | Phenol, 2-[(3,5-dimethoxyphenyl)amino]-4,6-bis(1,1-dimethylethyl)-
CAS No: 819798-89-5 Catalog No: AG005GA3 MDL No:
Product Description
Catalog Number:
AG005GA3
Chemical Name:
Phenol, 2-[(3,5-dimethoxyphenyl)amino]-4,6-bis(1,1-dimethylethyl)-
CAS Number:
819798-89-5
Molecular Formula:
C22H31NO3
Molecular Weight:
357.4864
IUPAC Name:
2,4-ditert-butyl-6-(3,5-dimethoxyanilino)phenol
InChI:
InChI=1S/C22H31NO3/c1-21(2,3)14-9-18(22(4,5)6)20(24)19(10-14)23-15-11-16(25-7)13-17(12-15)26-8/h9-13,23-24H,1-8H3
InChI Key:
ZNABXKJDWMVQEF-UHFFFAOYSA-N
SMILES:
COc1cc(OC)cc(c1)Nc1cc(cc(c1O)C(C)(C)C)C(C)(C)C
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.23g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
357.494g/mol
Monoisotopic Mass:
357.23g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
Literature
| Title | Journal |
|---|---|
| Radical-ligand-derived C-N coupling, Ga(III)-radical vs low-spin Co(III)-radical reactivity. | Inorganic chemistry 20080707 |
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