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28467-11-0 | Ethanone, 1-(5-bromo-2-hydroxy-3-iodophenyl)-
CAS No: 28467-11-0 Catalog No: AG002VEC MDL No:
Product Description
Catalog Number:
AG002VEC
Chemical Name:
Ethanone, 1-(5-bromo-2-hydroxy-3-iodophenyl)-
CAS Number:
28467-11-0
Molecular Formula:
C8H6BrIO2
Molecular Weight:
340.9405
IUPAC Name:
1-(5-bromo-2-hydroxy-3-iodophenyl)ethanone
InChI:
InChI=1S/C8H6BrIO2/c1-4(11)6-2-5(9)3-7(10)8(6)12/h2-3,12H,1H3
InChI Key:
SCFSMEJOAUYGGK-UHFFFAOYSA-N
SMILES:
Brc1cc(I)c(c(c1)C(=O)C)O
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.86g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
340.942g/mol
Monoisotopic Mass:
339.86g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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