Products Categories
CAS No.: | 374063-89-5 |
---|---|
Name: | 3-NITRO-2-PIPERAZIN-1-YLBENZOIC ACID |
Molecular Structure: | |
Formula: | C11H13N3O4 |
Molecular Weight: | 251.24 |
Synonyms: | 3-NITRO-2-PIPERAZIN-1-YLBENZOIC ACID |
Density: | 1.379 g/cm3 |
Boiling Point: | 463 °C at 760 mmHg |
Flash Point: | 233.8 °C |
Hazard Symbols: | Xi |
PSA: | 98.39000 |
LogP: | 1.61960 |
What can I do for you?
Get Best Price
The Benzoicacid, 3-nitro-2-(1-piperazinyl)- is an organic compound with the formula C11H13N3O4. The systematic name of this chemical is 3-nitro-2-piperazin-1-ylbenzoic acid. With the CAS registry number 374063-89-5, it is also named as 3-Nitro-2-(1-piperazinyl)benzoic acid.
Physical properties about Benzoicacid, 3-nitro-2-(1-piperazinyl)- are: (1)ACD/LogP: 1.92; (2)ACD/LogD (pH 5.5): -0.59; (3)ACD/LogD (pH 7.4): -0.62; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 7; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 78.6 Å2; (12)Index of Refraction: 1.611; (13)Molar Refractivity: 63.28 cm3; (14)Molar Volume: 182.1 cm3; (15)Polarizability: 25.08×10-24cm3; (16)Surface Tension: 59.8 dyne/cm; (17)Density: 1.379 g/cm3; (18)Flash Point: 233.8 °C; (19)Enthalpy of Vaporization: 76.3 kJ/mol; (20)Boiling Point: 463 °C at 760 mmHg; (21)Vapour Pressure: 2.26E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cccc(c1N2CCNCC2)C(=O)O
(2)InChI: InChI=1/C11H13N3O4/c15-11(16)8-2-1-3-9(14(17)18)10(8)13-6-4-12-5-7-13/h1-3,12H,4-7H2,(H,15,16)
(3)InChIKey: BFBIXTPJJSLRIX-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C11H13N3O4/c15-11(16)8-2-1-3-9(14(17)18)10(8)13-6-4-12-5-7-13/h1-3,12H,4-7H2,(H,15,16)
(5)Std. InChIKey: BFBIXTPJJSLRIX-UHFFFAOYSA-N