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1243476-86-9 | Phenol, 3,4-diiodo-
CAS No: 1243476-86-9 Catalog No: AG000LW8 MDL No:MFCD17000016
Product Description
Catalog Number:
AG000LW8
Chemical Name:
Phenol, 3,4-diiodo-
CAS Number:
1243476-86-9
Molecular Formula:
C6H4I2O
Molecular Weight:
345.9043
MDL Number:
MFCD17000016
IUPAC Name:
3,4-diiodophenol
InChI:
InChI=1S/C6H4I2O/c7-5-2-1-4(9)3-6(5)8/h1-3,9H
InChI Key:
PDXQVNYRCQKLRZ-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1)I)I
Properties
Complexity:
97.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.835g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
345.906g/mol
Monoisotopic Mass:
345.835g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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