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90609-47-5 | 1-IODO-2,6-DIMETHYL-4-METHOXYBENZENE
CAS No: 90609-47-5 Catalog No: AG006C6E MDL No:
Product Description
Catalog Number:
AG006C6E
Chemical Name:
1-IODO-2,6-DIMETHYL-4-METHOXYBENZENE
CAS Number:
90609-47-5
Molecular Formula:
C9H11IO
Molecular Weight:
262.0875
IUPAC Name:
2-iodo-5-methoxy-1,3-dimethylbenzene
InChI:
InChI=1S/C9H11IO/c1-6-4-8(11-3)5-7(2)9(6)10/h4-5H,1-3H3
InChI Key:
HHHQYOBWFSJKDJ-UHFFFAOYSA-N
SMILES:
COc1cc(C)c(c(c1)C)I
Properties
Complexity:
115
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.985g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.09g/mol
Monoisotopic Mass:
261.985g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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