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53279-73-5 | (2-HYDROXYMETHYL-4,5-DIIODO-PHENYL)-METHANOL
CAS No: 53279-73-5 Catalog No: AG00DYR3 MDL No:
Product Description
Catalog Number:
AG00DYR3
Chemical Name:
(2-HYDROXYMETHYL-4,5-DIIODO-PHENYL)-METHANOL
CAS Number:
53279-73-5
Molecular Formula:
C8H8I2O2
Molecular Weight:
389.9569
IUPAC Name:
[2-(hydroxymethyl)-4,5-diiodophenyl]methanol
InChI:
InChI=1S/C8H8I2O2/c9-7-1-5(3-11)6(4-12)2-8(7)10/h1-2,11-12H,3-4H2
InChI Key:
CRTAWVMSVITSOM-UHFFFAOYSA-N
SMILES:
OCc1cc(I)c(cc1CO)I
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
389.861g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
389.959g/mol
Monoisotopic Mass:
389.861g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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