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102879-22-1 | Benzene, 2-iodo-1,5-dimethoxy-3-methyl-
CAS No: 102879-22-1 Catalog No: AG007J2N MDL No:
Product Description
Catalog Number:
AG007J2N
Chemical Name:
Benzene, 2-iodo-1,5-dimethoxy-3-methyl-
CAS Number:
102879-22-1
Molecular Formula:
C9H11IO2
Molecular Weight:
278.0869
IUPAC Name:
2-iodo-1,5-dimethoxy-3-methylbenzene
InChI:
InChI=1S/C9H11IO2/c1-6-4-7(11-2)5-8(12-3)9(6)10/h4-5H,1-3H3
InChI Key:
BPHOSJMNUVESAT-UHFFFAOYSA-N
SMILES:
COc1cc(OC)c(c(c1)C)I
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.98g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.089g/mol
Monoisotopic Mass:
277.98g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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