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78739-83-0 | Benzofuran,2,3-dihydro-3-(iodomethyl)-
CAS No: 78739-83-0 Catalog No: AG005JUP MDL No:
Product Description
Catalog Number:
AG005JUP
Chemical Name:
Benzofuran,2,3-dihydro-3-(iodomethyl)-
CAS Number:
78739-83-0
Molecular Formula:
C9H9IO
Molecular Weight:
260.0716
IUPAC Name:
3-(iodomethyl)-2,3-dihydro-1-benzofuran
InChI:
InChI=1S/C9H9IO/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,7H,5-6H2
InChI Key:
XGYVNSZLKXZJCL-UHFFFAOYSA-N
SMILES:
ICC1COc2c1cccc2
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.97g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.074g/mol
Monoisotopic Mass:
259.97g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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