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3-Nitrobenzophenone

CAT: 0013-GTR19254382-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19254382-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
3-Nitrobenzophenone , with CAS No. 2243-80-3, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. 3-Nitrobenzophenone provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
CAS Number
2243-80-3
Product Name Alternative
Compound 2243 80 3, Compound 2243803
Purity
99.05% (May vary between batches)
Smiles
[O-][N+] (=O) c1cccc (c1) C (=O) c1ccccc1
Molecular Formula
C13H9NO3
Molecular Weight
227.219
Storage Conditions
Powder: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice/Shipping at ambient temperature.
Notes
For research use only.

Chemical Information

3-Nitrobenzophenone
CAS Number2243-80-3
PubChem CID75243
IUPAC Name(3-nitrophenyl)-phenylmethanone
Molecular FormulaC13H9NO3
Molecular Weight227.21
XLogP3.1
Topological Polar Surface Area62.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity292
SMILES
C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C13H9NO3/c15-13(10-5-2-1-3-6-10)11-7-4-8-12(9-11)14(16)17/h1-9H
InChIKey
MFYLRNKOXORIPK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Nitrobenzophenone
CAS: 2243-80-3
CID: 75243
Formula: C13H9NO3
MW: 227.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight227.21
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass227.058243149
Monoisotopic Mass227.058243149
Topological Polar Surface Area62.9 Ų
Heavy Atom Count17
Formal Charge0
Complexity292
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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