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831220-48-5 | Phenol, 2,2',2''-nitrilotris[5-iodo-
CAS No: 831220-48-5 Catalog No: AG0051J8 MDL No:
Product Description
Catalog Number:
AG0051J8
Chemical Name:
Phenol, 2,2',2''-nitrilotris[5-iodo-
CAS Number:
831220-48-5
Molecular Formula:
C18H12I3NO3
Molecular Weight:
671.0062
IUPAC Name:
2-(2-hydroxy-N-(2-hydroxy-4-iodophenyl)-4-iodoanilino)-5-iodophenol
InChI:
InChI=1S/C18H12I3NO3/c19-10-1-4-13(16(23)7-10)22(14-5-2-11(20)8-17(14)24)15-6-3-12(21)9-18(15)25/h1-9,23-25H
InChI Key:
DZFSMPGBWLGHGH-UHFFFAOYSA-N
SMILES:
Ic1ccc(c(c1)O)N(c1ccc(cc1O)I)c1ccc(cc1O)I
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
670.795g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
671.011g/mol
Monoisotopic Mass:
670.795g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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