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52273-53-7 | 3,4,5-Triiodobenzyl alcohol
CAS No: 52273-53-7 Catalog No: AG00DBO1 MDL No:MFCD11111446
Product Description
Catalog Number:
AG00DBO1
Chemical Name:
3,4,5-Triiodobenzyl alcohol
CAS Number:
52273-53-7
Molecular Formula:
C7H5I3O
Molecular Weight:
485.8274
MDL Number:
MFCD11111446
IUPAC Name:
(3,4,5-triiodophenyl)methanol
InChI:
InChI=1S/C7H5I3O/c8-5-1-4(3-11)2-6(9)7(5)10/h1-2,11H,3H2
InChI Key:
ZEMRYPUNHUWEPE-UHFFFAOYSA-N
SMILES:
OCc1cc(I)c(c(c1)I)I
Properties
Complexity:
119
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
485.747g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
485.829g/mol
Monoisotopic Mass:
485.747g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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