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260558-14-3 | Benzene, 2-iodo-4-methoxy-1-methyl-
CAS No: 260558-14-3 Catalog No: AG002RJK MDL No:
Product Description
Catalog Number:
AG002RJK
Chemical Name:
Benzene, 2-iodo-4-methoxy-1-methyl-
CAS Number:
260558-14-3
Molecular Formula:
C8H9IO
Molecular Weight:
248.0609
IUPAC Name:
2-iodo-4-methoxy-1-methylbenzene
InChI:
InChI=1S/C8H9IO/c1-6-3-4-7(10-2)5-8(6)9/h3-5H,1-2H3
InChI Key:
MIHFMTLIZXCMMH-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)I)C
Properties
Complexity:
105
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.97g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.063g/mol
Monoisotopic Mass:
247.97g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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