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766-85-8 | 3-iodoanisole
CAS No: 766-85-8 Catalog No: AG003JLJ MDL No:MFCD00001048
Product Description
Catalog Number:
AG003JLJ
Chemical Name:
3-iodoanisole
CAS Number:
766-85-8
Molecular Formula:
C7H7IO
Molecular Weight:
234.0344
MDL Number:
MFCD00001048
IUPAC Name:
1-iodo-3-methoxybenzene
InChI:
InChI=1S/C7H7IO/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3
InChI Key:
RSHBAGGASAJQCH-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)I
EC Number:
212-173-1
NSC Number:
60726
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:
2.9
Literature
| Title | Journal |
|---|---|
| After-effects of lithium-mediated alumination of 3-iodoanisole: isolation of molecular salt elimination and trapped-benzyne products. | Dalton transactions (Cambridge, England : 2003) 20120214 |
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