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147030-50-0 | Methanone, (2-butyl-3-benzofuranyl)(4-hydroxy-3-iodophenyl)-
CAS No: 147030-50-0 Catalog No: AG001EJ5 MDL No:
Product Description
Catalog Number:
AG001EJ5
Chemical Name:
Methanone, (2-butyl-3-benzofuranyl)(4-hydroxy-3-iodophenyl)-
CAS Number:
147030-50-0
Molecular Formula:
C19H17IO3
Molecular Weight:
420.2409
IUPAC Name:
(2-butyl-1-benzofuran-3-yl)-(4-hydroxy-3-iodophenyl)methanone
InChI:
InChI=1S/C19H17IO3/c1-2-3-7-17-18(13-6-4-5-8-16(13)23-17)19(22)12-9-10-15(21)14(20)11-12/h4-6,8-11,21H,2-3,7H2,1H3
InChI Key:
SPJWRQCARFHMEB-UHFFFAOYSA-N
SMILES:
CCCCc1oc2c(c1C(=O)c1ccc(c(c1)I)O)cccc2
UNII:
378VH98MB8
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
420.022g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
420.246g/mol
Monoisotopic Mass:
420.022g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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