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118646-52-9

118646-52-9 | Phenol, 4-iodo-, phosphate (3:1)

CAS No: 118646-52-9 Catalog No: AG007Q0Y MDL No:

Product Description

Catalog Number:
AG007Q0Y
Chemical Name:
Phenol, 4-iodo-, phosphate (3:1)
CAS Number:
118646-52-9
Molecular Formula:
C18H18I3O7P
Molecular Weight:
758.0185
IUPAC Name:
4-iodophenol;phosphoric acid
InChI:
InChI=1S/3C6H5IO.H3O4P/c3*7-5-1-3-6(8)4-2-5;1-5(2,3)4/h3*1-4,8H;(H3,1,2,3,4)
InChI Key:
LYPHYNJZYMQIBZ-UHFFFAOYSA-N
SMILES:
OP(=O)(O)O.Oc1ccc(cc1)I.Oc1ccc(cc1)I.Oc1ccc(cc1)I

Properties

Complexity:
117  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
757.792g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
6  
Isotope Atom Count:
0
Molecular Weight:
758.022g/mol
Monoisotopic Mass:
757.792g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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