7-nitro-1-sodio-1H-indazole

• ChemBase ID: 105668
• Molecular Formular: C7H4N3NaO2
• Molecular Mass: 185.11533
• Monoisotopic Mass: 185.02012066
• SMILES: [O-][N+](=O)c1cccc2c1n([Na])nc2
• Canonical SMILES: [O-][N+](=O)c1cccc2c1n([Na])nc2
• InChI: InChI=1S/C7H4N3O2.Na/c11-10(12)6-3-1-2-5-4-8-9-7(5)6;/h1-4H;/q-1;+1
• InChIKey: DJMLKKIIBMJGIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-nitro-1-sodio-1H-indazole
• IUPAC Traditional name: 7-nitro-1-sodioindazole
• Synonyms: 7-NITROINDAZOLE MONOSODIUM SALT

Database IDs

• CAS Number: 2942-42-9
• EC Number: 220-934-4
• PubChem SID: 162092158
• PubChem CID: 16760594

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.28221557
• LogD (pH = 7.4): -0.2822002
• Log P: -0.2822
• Molar Refractivity: 52.9171 cm^3
• Polarizability: 18.173687 Å^3
• Polar Surface Area: 63.64 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: -20°C, Desiccate, Protect from light
• RTECS: NK7962200

Product Information

• Purity: ≥95%

DETAILS

MP Biomedicals - 02193697

Monosodium Salt
Purity: >95%
Slightly water soluble salt of 7-nitroindazole, a selective inhibitor of nitric oxide synthase (NOS).