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2-Nitrobenzaldehyde

CAT: 0013-GTR19224186-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19224186-01Size:100 mg
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Description
2-Nitrobenzaldehyde is a chemical reagent utilized in the development of fluorescent immunochromatographic assays. Its application supports research in diagnostic methods, particularly for in vitro detection of biomarkers, leveraging its role as a precursor for fluorescent labels.
CAS Number
552-89-6
Smiles
[O-][N+] (=O) C1=CC=CC=C1C=O
Molecular Formula
C7H5NO3
Molecular Weight
151.12
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-Nitrobenzaldehyde

2-nitrobenzaldehyde is benzaldehyde substituted at the ortho-position with a nitro group. It is a member of benzaldehydes and a C-nitro compound.

CAS Number552-89-6
PubChem CID11101
IUPAC Name2-nitrobenzaldehyde
Molecular FormulaC7H5NO3
Molecular Weight151.12
XLogP1.7
Topological Polar Surface Area62.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity164
SMILES
C1=CC=C(C(=C1)C=O)[N+](=O)[O-]
InChI
InChI=1S/C7H5NO3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-5H
InChIKey
CMWKITSNTDAEDT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Nitrobenzaldehyde
CAS: 552-89-6
CID: 11101
Formula: C7H5NO3
MW: 151.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight151.12
XLogP31.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass151.026943022
Monoisotopic Mass151.026943022
Topological Polar Surface Area62.9 Ų
Heavy Atom Count11
Formal Charge0
Complexity164
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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