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401917-61-1 | 3-[(3,5-DIIODO-4-HYDROXYPHENYL)METHYL]-2-METHYLBENZOFURAN
CAS No: 401917-61-1 Catalog No: AG00CUWM MDL No:
Product Description
Catalog Number:
AG00CUWM
Chemical Name:
3-[(3,5-DIIODO-4-HYDROXYPHENYL)METHYL]-2-METHYLBENZOFURAN
CAS Number:
401917-61-1
Molecular Formula:
C16H12I2O2
Molecular Weight:
490.0742
IUPAC Name:
2,6-diiodo-4-[(2-methyl-1-benzofuran-3-yl)methyl]phenol
InChI:
InChI=1S/C16H12I2O2/c1-9-12(11-4-2-3-5-15(11)20-9)6-10-7-13(17)16(19)14(18)8-10/h2-5,7-8,19H,6H2,1H3
InChI Key:
ZHAMIXFCKGNYMT-UHFFFAOYSA-N
SMILES:
Cc1oc2c(c1Cc1cc(I)c(c(c1)I)O)cccc2
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
489.893g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
490.079g/mol
Monoisotopic Mass:
489.893g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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