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63452-69-7 | 1-IODO-4-METHOXY-2-METHYLBENZENE
CAS No: 63452-69-7 Catalog No: AG00EL5P MDL No:MFCD11101045
Product Description
Catalog Number:
AG00EL5P
Chemical Name:
1-IODO-4-METHOXY-2-METHYLBENZENE
CAS Number:
63452-69-7
Molecular Formula:
C8H9IO
Molecular Weight:
248.0609
MDL Number:
MFCD11101045
IUPAC Name:
1-iodo-4-methoxy-2-methylbenzene
InChI:
InChI=1S/C8H9IO/c1-6-5-7(10-2)3-4-8(6)9/h3-5H,1-2H3
InChI Key:
QFUGOWDTHUONFO-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)C)I
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
Literature
| Title | Journal |
|---|---|
| 5,7-Dimethoxy-isobenzofuran-1(3H)-one. | Acta crystallographica. Section E, Structure reports online 20090901 |
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