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866558-05-6 | Benzofuran, 4,5,6,7-tetrahydro-3-iodo-4-methoxy-2-phenyl-
CAS No: 866558-05-6 Catalog No: AG004OIG MDL No:
Product Description
Catalog Number:
AG004OIG
Chemical Name:
Benzofuran, 4,5,6,7-tetrahydro-3-iodo-4-methoxy-2-phenyl-
CAS Number:
866558-05-6
Molecular Formula:
C15H15IO2
Molecular Weight:
354.1829
IUPAC Name:
3-iodo-4-methoxy-2-phenyl-4,5,6,7-tetrahydro-1-benzofuran
InChI:
InChI=1S/C15H15IO2/c1-17-11-8-5-9-12-13(11)14(16)15(18-12)10-6-3-2-4-7-10/h2-4,6-7,11H,5,8-9H2,1H3
InChI Key:
YEYJXUMGDHDBCN-UHFFFAOYSA-N
SMILES:
COC1CCCc2c1c(I)c(o2)c1ccccc1
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.012g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.187g/mol
Monoisotopic Mass:
354.012g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
22.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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