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608-28-6 | 2-Iodo-1,3-Dimethylbenzene
CAS No: 608-28-6 Catalog No: AG0033D2 MDL No:MFCD00019012
Product Description
Catalog Number:
AG0033D2
Chemical Name:
2-Iodo-1,3-Dimethylbenzene
CAS Number:
608-28-6
Molecular Formula:
C8H9I
Molecular Weight:
232.0615
MDL Number:
MFCD00019012
IUPAC Name:
2-iodo-1,3-dimethylbenzene
InChI:
InChI=1S/C8H9I/c1-6-4-3-5-7(2)8(6)9/h3-5H,1-2H3
InChI Key:
QTUGGVBKWIYQSS-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1I)C
NSC Number:
9265
Properties
Complexity:
80.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.975g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.064g/mol
Monoisotopic Mass:
231.975g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| Diels-Alder reactions of novel (1'-arylallylidene)cyclopropanes with heterodienophiles. | Chemistry, an Asian journal 20070205 |
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