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1919-83-1 | Phenol, 2,2'-methylenebis[4-chloro-6-(1,1-dimethylethyl)-
CAS No: 1919-83-1 Catalog No: AG002FJA MDL No:
Product Description
Catalog Number:
AG002FJA
Chemical Name:
Phenol, 2,2'-methylenebis[4-chloro-6-(1,1-dimethylethyl)-
CAS Number:
1919-83-1
Molecular Formula:
C21H26Cl2O2
Molecular Weight:
381.3359
IUPAC Name:
2-tert-butyl-6-[(3-tert-butyl-5-chloro-2-hydroxyphenyl)methyl]-4-chlorophenol
InChI:
InChI=1S/C21H26Cl2O2/c1-20(2,3)16-10-14(22)8-12(18(16)24)7-13-9-15(23)11-17(19(13)25)21(4,5)6/h8-11,24-25H,7H2,1-6H3
InChI Key:
TZUFLAHKWFQWAK-UHFFFAOYSA-N
SMILES:
Clc1cc(Cc2cc(Cl)cc(c2O)C(C)(C)C)c(c(c1)C(C)(C)C)O
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.131g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
381.337g/mol
Monoisotopic Mass:
380.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.7
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