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6-Nitro-2H-indazole

CAT: 0127-OR305132-01Size: 100 gDry Ice: NoHazardous: No
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CAT#:0127-OR305132-01Size:100 g
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CAS Number
65750-02-9
MDL Number
MFCD18814731
Purity
95%
Smiles
[O-][N+](=O)c1ccc2c[nH]nc2c1

Chemical Information

6-Nitroindazole
CAS Number65750-02-9
PubChem CID24239
IUPAC Name6-nitro-1H-indazole
Molecular FormulaC7H5N3O2
Molecular Weight163.13
XLogP2.1
Topological Polar Surface Area74.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity192
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])NN=C2
InChI
InChI=1S/C7H5N3O2/c11-10(12)6-2-1-5-4-8-9-7(5)3-6/h1-4H,(H,8,9)
InChIKey
ORZRMRUXSPNQQL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Nitroindazole
CAS: 65750-02-9
CID: 24239
Formula: C7H5N3O2
MW: 163.13
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight163.13
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass163.038176411
Monoisotopic Mass163.038176411
Topological Polar Surface Area74.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity192
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