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2012-30-8 | Phenol, 2,4,6-triiodo-3-methoxy-
CAS No: 2012-30-8 Catalog No: AG002D9B MDL No:
Product Description
Catalog Number:
AG002D9B
Chemical Name:
Phenol, 2,4,6-triiodo-3-methoxy-
CAS Number:
2012-30-8
Molecular Formula:
C7H5I3O2
Molecular Weight:
501.8268
IUPAC Name:
2,4,6-triiodo-3-methoxyphenol
InChI:
InChI=1S/C7H5I3O2/c1-12-7-4(9)2-3(8)6(11)5(7)10/h2,11H,1H3
InChI Key:
NOPNVVUSTJDNLQ-UHFFFAOYSA-N
SMILES:
COc1c(I)cc(c(c1I)O)I
NSC Number:
41705
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
501.742g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
501.828g/mol
Monoisotopic Mass:
501.742g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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