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529-28-2 | 1-Iodo-2-methoxybenzene
CAS No: 529-28-2 Catalog No: AG0033D4 MDL No:MFCD00001039
Product Description
Catalog Number:
AG0033D4
Chemical Name:
1-Iodo-2-methoxybenzene
CAS Number:
529-28-2
Molecular Formula:
C7H7IO
Molecular Weight:
234.0344
MDL Number:
MFCD00001039
IUPAC Name:
1-iodo-2-methoxybenzene
InChI:
InChI=1S/C7H7IO/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3
InChI Key:
DVQWNQBEUKXONL-UHFFFAOYSA-N
SMILES:
COc1ccccc1I
EC Number:
208-456-4
UNII:
75Y5532R8O
NSC Number:
9259
Properties
Complexity:
85
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.954g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.036g/mol
Monoisotopic Mass:
233.954g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Neopentylglycolborylation of ortho-substituted aryl halides catalyzed by NiCl(2)-based mixed-ligand systems. | The Journal of organic chemistry 20100820 |
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