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156483-88-4 | Benzoic acid, 3-[[hydroxy[[[2-(4-iodophenyl)acetyl]amino]methyl]phosphinyl]oxy]-
CAS No: 156483-88-4 Catalog No: AG001OR9 MDL No:
Product Description
Catalog Number:
AG001OR9
Chemical Name:
Benzoic acid, 3-[[hydroxy[[[2-(4-iodophenyl)acetyl]amino]methyl]phosphinyl]oxy]-
CAS Number:
156483-88-4
Molecular Formula:
C16H15INO6P
Molecular Weight:
475.1716
IUPAC Name:
3-[hydroxy-[[[2-(4-iodophenyl)acetyl]amino]methyl]phosphoryl]oxybenzoic acid
InChI:
InChI=1S/C16H15INO6P/c17-13-6-4-11(5-7-13)8-15(19)18-10-25(22,23)24-14-3-1-2-12(9-14)16(20)21/h1-7,9H,8,10H2,(H,18,19)(H,20,21)(H,22,23)
InChI Key:
XKIXOGFDDUEBHT-UHFFFAOYSA-N
SMILES:
O=C(Cc1ccc(cc1)I)NCP(=O)(Oc1cccc(c1)C(=O)O)O
Properties
Complexity:
523
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
474.968g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
475.175g/mol
Monoisotopic Mass:
474.968g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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