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3-Nitro-9H-Carbazole

CAT: 0127-OR1026665-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1026665-01Size:250 mg
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CAS Number
3077-85-8
Synonyms
3-nitro-9H-carbazole
Purity
98%
Smiles
C1=CC=C2C(=C1)C3=C(N2)C=CC(=C3)[N+](=O)[O-]

Chemical Information

3-Nitrocarbazole
CAS Number3077-85-8
PubChem CID76503
IUPAC Name3-nitro-9H-carbazole
Molecular FormulaC12H8N2O2
Molecular Weight212.20
XLogP3.5
Topological Polar Surface Area61.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count16
Formal Charge0
Complexity289
SMILES
C1=CC=C2C(=C1)C3=C(N2)C=CC(=C3)[N+](=O)[O-]
InChI
InChI=1S/C12H8N2O2/c15-14(16)8-5-6-12-10(7-8)9-3-1-2-4-11(9)13-12/h1-7,13H
InChIKey
ZYNHZTIMNJKVLK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Nitrocarbazole
CAS: 3077-85-8
CID: 76503
Formula: C12H8N2O2
MW: 212.20
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight212.20
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass212.058577502
Monoisotopic Mass212.058577502
Topological Polar Surface Area61.6 Ų
Heavy Atom Count16
Formal Charge0
Complexity289
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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