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2,3-Dimethyl-5-nitroindole

CAT: 0024-sc-265999Size: 1 gDry Ice: NoHazardous: No
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CAS Number
21296-94-6

Chemical Information

2,3-dimethyl-5-nitro-1H-indole
CAS Number21296-94-6
PubChem CID88860
IUPAC Name2,3-dimethyl-5-nitro-1H-indole
Molecular FormulaC10H10N2O2
Molecular Weight190.20
XLogP2.6
Topological Polar Surface Area61.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count14
Formal Charge0
Complexity239
SMILES
CC1=C(NC2=C1C=C(C=C2)[N+](=O)[O-])C
InChI
InChI=1S/C10H10N2O2/c1-6-7(2)11-10-4-3-8(12(13)14)5-9(6)10/h3-5,11H,1-2H3
InChIKey
LKIMRQIKTONPER-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,3-dimethyl-5-nitro-1H-indole
CAS: 21296-94-6
CID: 88860
Formula: C10H10N2O2
MW: 190.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight190.20
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass190.074227566
Monoisotopic Mass190.074227566
Topological Polar Surface Area61.6 Ų
Heavy Atom Count14
Formal Charge0
Complexity239
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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