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141452-47-3 | Phenol, 4,4'-oxybis[2-bromo-6-chloro-
CAS No: 141452-47-3 Catalog No: AG001GEE MDL No:
Product Description
Catalog Number:
AG001GEE
Chemical Name:
Phenol, 4,4'-oxybis[2-bromo-6-chloro-
CAS Number:
141452-47-3
Molecular Formula:
C12H6Br2Cl2O3
Molecular Weight:
428.8882
IUPAC Name:
2-bromo-4-(3-bromo-5-chloro-4-hydroxyphenoxy)-6-chlorophenol
InChI:
InChI=1S/C12H6Br2Cl2O3/c13-7-1-5(3-9(15)11(7)17)19-6-2-8(14)12(18)10(16)4-6/h1-4,17-18H
InChI Key:
IUBUPIAGFBMYIW-UHFFFAOYSA-N
SMILES:
Clc1cc(Oc2cc(Cl)c(c(c2)Br)O)cc(c1O)Br
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
427.804g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
428.885g/mol
Monoisotopic Mass:
425.806g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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