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4-Nitrobenzanilide

CAT: 0931-T29440-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T29440-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3460-11-5
Target
Others
Related Pathways
Others
Bioactivity
4-Nitrobenzanilide is a biochemical.
Smiles
O=C(NC=1C=CC=CC1)C2=CC=C(C=C2)N(=O)=O
Molecular Formula
C13H10N2O3
Molecular Weight
242.23
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-Nitrobenzanilide
CAS Number3460-11-5
PubChem CID77003
IUPAC Name4-nitro-N-phenylbenzamide
Molecular FormulaC13H10N2O3
Molecular Weight242.23
XLogP2.4
Topological Polar Surface Area74.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity300
SMILES
C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C13H10N2O3/c16-13(14-11-4-2-1-3-5-11)10-6-8-12(9-7-10)15(17)18/h1-9H,(H,14,16)
InChIKey
KCBREZOWOLOPLW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Nitrobenzanilide
CAS: 3460-11-5
CID: 77003
Formula: C13H10N2O3
MW: 242.23
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight242.23
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass242.06914219
Monoisotopic Mass242.06914219
Topological Polar Surface Area74.9 Ų
Heavy Atom Count18
Formal Charge0
Complexity300
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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