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89419-29-4 | Phenol, 2,2'-methylenebis[6-chloro-4-(1,1,3,3-tetramethylbutyl)-
CAS No: 89419-29-4 Catalog No: AG0044T6 MDL No:
Product Description
Catalog Number:
AG0044T6
Chemical Name:
Phenol, 2,2'-methylenebis[6-chloro-4-(1,1,3,3-tetramethylbutyl)-
CAS Number:
89419-29-4
Molecular Formula:
C29H42Cl2O2
Molecular Weight:
493.5486
IUPAC Name:
2-chloro-6-[[3-chloro-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
InChI:
InChI=1S/C29H42Cl2O2/c1-26(2,3)16-28(7,8)20-12-18(24(32)22(30)14-20)11-19-13-21(15-23(31)25(19)33)29(9,10)17-27(4,5)6/h12-15,32-33H,11,16-17H2,1-10H3
InChI Key:
ZNRJWVLQIGNVQH-UHFFFAOYSA-N
SMILES:
Clc1cc(cc(c1O)Cc1cc(cc(c1O)Cl)C(CC(C)(C)C)(C)C)C(CC(C)(C)C)(C)C
Properties
Complexity:
577
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
492.256g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
493.553g/mol
Monoisotopic Mass:
492.256g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.2
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