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686965-20-8 | Phenol, 2,4-diiodo-6-[1-[(4-methylphenyl)imino]ethyl]-
CAS No: 686965-20-8 Catalog No: AG005OLT MDL No:
Product Description
Catalog Number:
AG005OLT
Chemical Name:
Phenol, 2,4-diiodo-6-[1-[(4-methylphenyl)imino]ethyl]-
CAS Number:
686965-20-8
Molecular Formula:
C15H13I2NO
Molecular Weight:
477.0788
IUPAC Name:
2,4-diiodo-6-[C-methyl-N-(4-methylphenyl)carbonimidoyl]phenol
InChI:
InChI=1S/C15H13I2NO/c1-9-3-5-12(6-4-9)18-10(2)13-7-11(16)8-14(17)15(13)19/h3-8,19H,1-2H3
InChI Key:
UJEMIDKXCZCBKN-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)N=C(c1cc(I)cc(c1O)I)C
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
476.909g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
477.084g/mol
Monoisotopic Mass:
476.909g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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