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133838-76-3 | Benzofuran, 3-iodo-2-methyl-
CAS No: 133838-76-3 Catalog No: AG007MUW MDL No:
Product Description
Catalog Number:
AG007MUW
Chemical Name:
Benzofuran, 3-iodo-2-methyl-
CAS Number:
133838-76-3
Molecular Formula:
C9H7IO
Molecular Weight:
258.0557
IUPAC Name:
3-iodo-2-methyl-1-benzofuran
InChI:
InChI=1S/C9H7IO/c1-6-9(10)7-4-2-3-5-8(7)11-6/h2-5H,1H3
InChI Key:
QNSJQOACDPSMNN-UHFFFAOYSA-N
SMILES:
Ic1c(C)oc2c1cccc2
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.954g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.058g/mol
Monoisotopic Mass:
257.954g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
13.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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