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Home Aldehydes 3-Iodobenzaldehyde

3-Iodobenzaldehyde

CAS No.:
696-41-3
Catalog Number:
AG0033QH
Molecular Formula:
C7H5IO
Molecular Weight:
232.0185
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$17
- +
5g
97%
In Stock USA
United States
$50
- +
10g
97%
In Stock USA
United States
$88
- +
25g
97%
In Stock USA
United States
$175
- +
100g
97%
In Stock USA
United States
$525
- +
Product Description
Catalog Number:
AG0033QH
Chemical Name:
3-Iodobenzaldehyde
CAS Number:
696-41-3
Molecular Formula:
C7H5IO
Molecular Weight:
232.0185
MDL Number:
MFCD00039573
IUPAC Name:
3-iodobenzaldehyde
InChI:
InChI=1S/C7H5IO/c8-7-3-1-2-6(4-7)5-9/h1-5H
InChI Key:
RZODAQZAFOBFLS-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)I
NSC Number:
74694
Properties
Complexity:
103  
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:
2.2  
Literature
Title Journal
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
Properties