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796851-93-9 | Benzofuran, 3-(2-iodoethyl)-5-methoxy-
CAS No: 796851-93-9 Catalog No: AG005IN7 MDL No:
Product Description
Catalog Number:
AG005IN7
Chemical Name:
Benzofuran, 3-(2-iodoethyl)-5-methoxy-
CAS Number:
796851-93-9
Molecular Formula:
C11H11IO2
Molecular Weight:
302.1083
IUPAC Name:
3-(2-iodoethyl)-5-methoxy-1-benzofuran
InChI:
InChI=1S/C11H11IO2/c1-13-9-2-3-11-10(6-9)8(4-5-12)7-14-11/h2-3,6-7H,4-5H2,1H3
InChI Key:
PXDKXYPETXYSMA-UHFFFAOYSA-N
SMILES:
ICCc1coc2c1cc(OC)cc2
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.98g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.111g/mol
Monoisotopic Mass:
301.98g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
22.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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