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122438-83-9 | Phenol, 2,6-dibromo-4-[[3,5-dibromo-4-(2-propen-1-yloxy)phenyl]sulfonyl]-
CAS No: 122438-83-9 Catalog No: AG00177R MDL No:
Product Description
Catalog Number:
AG00177R
Chemical Name:
Phenol, 2,6-dibromo-4-[[3,5-dibromo-4-(2-propen-1-yloxy)phenyl]sulfonyl]-
CAS Number:
122438-83-9
Molecular Formula:
C15H10Br4O4S
Molecular Weight:
605.9185
IUPAC Name:
2,6-dibromo-4-(3,5-dibromo-4-prop-2-enoxyphenyl)sulfonylphenol
InChI:
InChI=1S/C15H10Br4O4S/c1-2-3-23-15-12(18)6-9(7-13(15)19)24(21,22)8-4-10(16)14(20)11(17)5-8/h2,4-7,20H,1,3H2
InChI Key:
IQABBECQJZWHAN-UHFFFAOYSA-N
SMILES:
C=CCOc1c(Br)cc(cc1Br)S(=O)(=O)c1cc(Br)c(c(c1)Br)O
Properties
Complexity:
514
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
605.699g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
605.917g/mol
Monoisotopic Mass:
601.703g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
72A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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