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124311-19-9 | Phenol, 3-bromo-2,4,6-triiodo-
CAS No: 124311-19-9 Catalog No: AG000LTR MDL No:
Product Description
Catalog Number:
AG000LTR
Chemical Name:
Phenol, 3-bromo-2,4,6-triiodo-
CAS Number:
124311-19-9
Molecular Formula:
C6H2BrI3O
Molecular Weight:
550.6969
IUPAC Name:
3-bromo-2,4,6-triiodophenol
InChI:
InChI=1S/C6H2BrI3O/c7-4-2(8)1-3(9)6(11)5(4)10/h1,11H
InChI Key:
JANLOHOAQTVPQZ-UHFFFAOYSA-N
SMILES:
Oc1c(I)cc(c(c1I)Br)I
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
549.642g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
550.698g/mol
Monoisotopic Mass:
549.642g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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