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Home > Nitro Compounds > 77621-69-3
77621-69-3 | Phenol, 4,4'-[(4-nitrophenyl)methylene]bis[2,6-bis(1,1-dimethylethyl)-
CAS No: 77621-69-3 Catalog No: AG005SM3 MDL No:
Product Description
Catalog Number:
AG005SM3
Chemical Name:
Phenol, 4,4'-[(4-nitrophenyl)methylene]bis[2,6-bis(1,1-dimethylethyl)-
CAS Number:
77621-69-3
Molecular Formula:
C35H47NO4
Molecular Weight:
545.7520
IUPAC Name:
2,6-ditert-butyl-4-[(3,5-ditert-butyl-4-hydroxyphenyl)-(4-nitrophenyl)methyl]phenol
InChI:
InChI=1S/C35H47NO4/c1-32(2,3)25-17-22(18-26(30(25)37)33(4,5)6)29(21-13-15-24(16-14-21)36(39)40)23-19-27(34(7,8)9)31(38)28(20-23)35(10,11)12/h13-20,29,37-38H,1-12H3
InChI Key:
GLPOMRZYBFQNMU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)C(c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
Properties
Complexity:
741
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
545.351g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
545.764g/mol
Monoisotopic Mass:
545.351g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
86.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.1
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