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3-Methyl-6-nitroindazole

CAT: 0572-TRC-M325555-10GSize: 10 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-M325555-10GSize:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
6494-19-5
Synonyms
6-Nitro-3-methylindazole; 3-Methyl-6-nitro-1H-indazole;
Hazard Statement
Harmful if swallowed.
Purity
>95% (HPLC)
Smiles
Cc1n[nH]c2cc(ccc12)[N+](=O)[O-]
Molecular Formula
C8H7N3O2
Molecular Weight
177.16
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

3-Methyl-6-nitro-1H-indazole
CAS Number6494-19-5
PubChem CID10921054
IUPAC Name3-methyl-6-nitro-2H-indazole
Molecular FormulaC8H7N3O2
Molecular Weight177.16
XLogP1.8
Topological Polar Surface Area74.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count13
Formal Charge0
Complexity216
SMILES
CC1=C2C=CC(=CC2=NN1)[N+](=O)[O-]
InChI
InChI=1S/C8H7N3O2/c1-5-7-3-2-6(11(12)13)4-8(7)10-9-5/h2-4H,1H3,(H,9,10)
InChIKey
FUNWSYKLFDLUIZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Methyl-6-nitro-1H-indazole
CAS: 6494-19-5
CID: 10921054
Formula: C8H7N3O2
MW: 177.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight177.16
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass177.053826475
Monoisotopic Mass177.053826475
Topological Polar Surface Area74.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity216
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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