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6-Nitroindole

CAT: 0013-GTR19245349-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19245349-01Size:25 g
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Description
6-Nitroindole is a biochemical reagent that can be used as a biomaterial for life science related research and as a sulfonylation reagent for organic synthesis and drug discovery.
CAS Number
4769-96-4
Smiles
O=[N+] (C1=CC2=C (C=C1) C=CN2) [O-]
Molecular Formula
C8H6N2O2
Molecular Weight
162.15
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

6-Nitro-1H-indole
CAS Number4769-96-4
PubChem CID78502
IUPAC Name6-nitro-1H-indole
Molecular FormulaC8H6N2O2
Molecular Weight162.15
XLogP2.5
Topological Polar Surface Area61.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity190
SMILES
C1=CC(=CC2=C1C=CN2)[N+](=O)[O-]
InChI
InChI=1S/C8H6N2O2/c11-10(12)7-2-1-6-3-4-9-8(6)5-7/h1-5,9H
InChIKey
PSWCIARYGITEOY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Nitro-1H-indole
CAS: 4769-96-4
CID: 78502
Formula: C8H6N2O2
MW: 162.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight162.15
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass162.042927438
Monoisotopic Mass162.042927438
Topological Polar Surface Area61.6 Ų
Heavy Atom Count12
Formal Charge0
Complexity190
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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