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70331-81-6 | 2-HYDROXY-3-IODO-5-NITROBENZALDEHYDE
CAS No: 70331-81-6 Catalog No: AG005JVN MDL No:MFCD00746352
Product Description
Catalog Number:
AG005JVN
Chemical Name:
2-HYDROXY-3-IODO-5-NITROBENZALDEHYDE
CAS Number:
70331-81-6
Molecular Formula:
C7H4INO4
Molecular Weight:
293.0154
MDL Number:
MFCD00746352
IUPAC Name:
2-hydroxy-3-iodo-5-nitrobenzaldehyde
InChI:
InChI=1S/C7H4INO4/c8-6-2-5(9(12)13)1-4(3-10)7(6)11/h1-3,11H
InChI Key:
CNHWDOFIWJSFFV-UHFFFAOYSA-N
SMILES:
O=Cc1cc(cc(c1O)I)[N+](=O)[O-]
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.919g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
293.016g/mol
Monoisotopic Mass:
292.919g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Three-dimensional aggregation in 2-hydroxy-3-iodo-5-nitrobenzaldehyde involving C-H...O, iodo-nitro and aromatic pi-pi stacking interactions, and isolated dimers in disordered 2,4-diiodo-6-nitroanisole. | Acta crystallographica. Section C, Crystal structure communications 20040101 |
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