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15164-44-0 | 4-Iodobenzaldehyde
CAS No: 15164-44-0 Catalog No: AG003LKK MDL No:MFCD00039576
Product Description
Catalog Number:
AG003LKK
Chemical Name:
4-Iodobenzaldehyde
CAS Number:
15164-44-0
Molecular Formula:
C7H5IO
Molecular Weight:
232.0185
MDL Number:
MFCD00039576
IUPAC Name:
4-iodobenzaldehyde
InChI:
InChI=1S/C7H5IO/c8-7-3-1-6(5-9)2-4-7/h1-5H
InChI Key:
NIEBHDXUIJSHSL-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)I
NSC Number:
84301
Properties
Complexity:
95.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.939g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.02g/mol
Monoisotopic Mass:
231.939g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Competing intermolecular interactions in some 'bridge-flipped' isomeric phenylhydrazones. | Acta crystallographica. Section C, Crystal structure communications 20120701 |
| Gamma probes and their use in tumor detection in colorectal cancer. | International seminars in surgical oncology : ISSO 20080101 |
| Hydrogen-bonded chains of rings in 3-iodobenzaldehyde 2,4-dinitrophenylhydrazone and 4-iodobenzaldehyde 2,4-dinitrophenylhydrazone, and a three-dimensional framework in 4-iodobenzaldehyde 4-nitrophenylhydrazone generated by the combination of N-H...O and C-H...O hydrogen bonds with iodo-nitro interactions. | Acta crystallographica. Section C, Crystal structure communications 20040101 |
| Highly active thermomorphic fluorous palladacycle catalyst precursors for the Heck reaction; evidence for a palladium nanoparticle pathway. | Organic letters 20020613 |
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