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141381-62-6 | Phenol, 4,4'-methylenebis[2-bromo-6-chloro-
CAS No: 141381-62-6 Catalog No: AG001GBO MDL No:
Product Description
Catalog Number:
AG001GBO
Chemical Name:
Phenol, 4,4'-methylenebis[2-bromo-6-chloro-
CAS Number:
141381-62-6
Molecular Formula:
C13H8Br2Cl2O2
Molecular Weight:
426.9154
IUPAC Name:
2-bromo-4-[(3-bromo-5-chloro-4-hydroxyphenyl)methyl]-6-chlorophenol
InChI:
InChI=1S/C13H8Br2Cl2O2/c14-8-2-6(4-10(16)12(8)18)1-7-3-9(15)13(19)11(17)5-7/h2-5,18-19H,1H2
InChI Key:
PNPFIRPBAIBLBC-UHFFFAOYSA-N
SMILES:
Clc1cc(Cc2cc(Cl)c(c(c2)Br)O)cc(c1O)Br
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
425.825g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
426.913g/mol
Monoisotopic Mass:
423.827g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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