Name: 3-HYDROXY-6-NITRO (1H)INDAZOLE
SKU: 7364-33-2

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Basic Information

Molecular Structure:
CAS No.:	7364-33-2
Name:	3-HYDROXY-6-NITRO (1H)INDAZOLE
Article Data:	11

Formula:	C₇H₅N₃O₃
Molecular Weight:	179.135
Synonyms:	3-Indazolinone,6-nitro- (7CI,8CI);6-Nitro-1,2-dihydroindazol-3-one;6-Nitro-3-indazolinone;NSC 87549;
EINECS:	230-905-8
Density:	1.506 g/cm³
Melting Point:	243℃
Boiling Point:	274.6 °C at 760 mmHg
Flash Point:	119.9 °C
PSA:	94.47000
LogP:	1.28760

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Specification

The 3-Hydroxy-6-nitro(1H)indazole is an organic compound with the formula C₇H₅N₃O₃. The IUPAC name of thsi chemical is 6-nitro-1,2-dihydroindazol-3-one. With the CAS registry number 7364-33-2 and EINECS 230-905-8, it is also named as 1,2-Dihydro-6-nitro-3H-indazol-3-one. In addition, the molecular weight is 179.1329.

The other characteristics of 3-Hydroxy-6-nitro(1H)indazole can be summarized as: (1)ACD/LogP: 1.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.48; (4)ACD/LogD (pH 7.4): 1.48; (5)ACD/BCF (pH 5.5): 7.86; (6)ACD/BCF (pH 7.4): 7.85; (7)ACD/KOC (pH 5.5): 152.25; (8)ACD/KOC (pH 7.4): 152.04; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.634; (13)Molar Refractivity: 42.57 cm³; (14)Molar Volume: 118.9 cm³; (15)Polarizability: 16.87×10^-24 cm³; (16)Surface Tension: 60 dyne/cm; (17)Enthalpy of Vaporization: 51.3 kJ/mol; (18)Vapour Pressure: 0.00536 mmHg at 25°C; (19)Tautomer Count: 10; (20)Exact Mass: 179.033091; (21)MonoIsotopic Mass: 179.033091; (22)Topological Polar Surface Area: 87; (23)Heavy Atom Count: 13; (24)Complexity: 250.

People can use the following data to convert to the molecule structure.
1. SMILES:[O-][N+](=O)c1ccc2c(c1)NNC2=O
2. InChI:InChI=1/C7H5N3O3/c11-7-5-2-1-4(10(12)13)3-6(5)8-9-7/h1-3H,(H2,8,9,11)
3. InChIKey:BNLMXABHKLAIAG-UHFFFAOYAE
4. Std. InChI:InChI=1S/C7H5N3O3/c11-7-5-2-1-4(10(12)13)3-6(5)8-9-7/h1-3H,(H2,8,9,11)
5. Std. InChIKey:BNLMXABHKLAIAG-UHFFFAOYSA-N