The Benzoic acid,2-hydrazinyl-, with CAS registry number 5326-27-2, belongs to the following product category: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts. It has the systematic name of 2-hydrazinylbenzoic acid. And the chemical formula of this chemical is C7H8N2O2. What's more, its EINECS is 226-202-0.
Physical properties of Benzoic acid,2-hydrazinyl-: (1)ACD/LogP: 2.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.43; (4)ACD/LogD (pH 7.4): -0.89; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 7.55; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 32.78 Å2; (13)Index of Refraction: 1.694; (14)Molar Refractivity: 41.69 cm3; (15)Molar Volume: 108.5 cm3; (16)Polarizability: 16.52×10-24cm3; (17)Surface Tension: 73.1 dyne/cm; (18)Density: 1.401 g/cm3; (19)Flash Point: 166.9 °C; (20)Enthalpy of Vaporization: 63.01 kJ/mol; (21)Boiling Point: 352.3 °C at 760 mmHg; (22)Vapour Pressure: 1.44E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1ccccc1NN
(2)InChI: InChI=1/C7H8N2O2/c8-9-6-4-2-1-3-5(6)7(10)11/h1-4,9H,8H2,(H,10,11)
(3)InChIKey: KFGVDCBVGNMCJC-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C7H8N2O2/c8-9-6-4-2-1-3-5(6)7(10)11/h1-4,9H,8H2,(H,10,11)
(5)Std. InChIKey: KFGVDCBVGNMCJC-UHFFFAOYSA-N
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