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115870-84-3 | Phenol, 2,6-bis(1,1-dimethylethyl)-4-[(4-nitrophenyl)amino]-
CAS No: 115870-84-3 Catalog No: AG000GZ9 MDL No:
Product Description
Catalog Number:
AG000GZ9
Chemical Name:
Phenol, 2,6-bis(1,1-dimethylethyl)-4-[(4-nitrophenyl)amino]-
CAS Number:
115870-84-3
Molecular Formula:
C20H26N2O3
Molecular Weight:
342.4320
IUPAC Name:
2,6-ditert-butyl-4-(4-nitroanilino)phenol
InChI:
InChI=1S/C20H26N2O3/c1-19(2,3)16-11-14(12-17(18(16)23)20(4,5)6)21-13-7-9-15(10-8-13)22(24)25/h7-12,21,23H,1-6H3
InChI Key:
NPGOMONAMDYFNX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)Nc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.194g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
342.439g/mol
Monoisotopic Mass:
342.194g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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