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2142-70-3 | 1-(2-Iodophenyl)ethanone
CAS No: 2142-70-3 Catalog No: AG0033D3 MDL No:MFCD00094998
Product Description
Catalog Number:
AG0033D3
Chemical Name:
1-(2-Iodophenyl)ethanone
CAS Number:
2142-70-3
Molecular Formula:
C8H7IO
Molecular Weight:
246.0451
MDL Number:
MFCD00094998
IUPAC Name:
1-(2-iodophenyl)ethanone
InChI:
InChI=1S/C8H7IO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,1H3
InChI Key:
XDXCBCXNCQGZPG-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccccc1I
NSC Number:
46625
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.954g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.047g/mol
Monoisotopic Mass:
245.954g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Trapping evidence for the thermal cyclization of di-(o-acetylphenyl)acetylene to 3,3'-dimethyl-1,1'-biisobenzofuran. | Beilstein journal of organic chemistry 20050101 |
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