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Name |
Benzeneaceticacid, a-[(4-nitrobenzoyl)amino]- |
EINECS | N/A |
CAS No. | 63013-15-0 | Density | 1.401 g/cm3 |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C15H12N2O5 | Boiling Point | 575.1° C at 760 mmHg |
Molecular Weight | 300.271 | Flash Point | 301.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Hippuricacid, p-nitro-a-phenyl- (6CI);NSC 404021;[(4-nitrobenzoyl)amino](phenyl)acetic acid; |
The Benzeneaceticacid, a-[(4-nitrobenzoyl)amino]-, with the CAS registry number 63013-15-0, has the systematic name of [(4-nitrobenzoyl)amino](phenyl)acetic acid. And the molecular formula of this chemical is C15H12N2O5. It is a kind of organics, and should be stored in the dry and cool environment.
The physical properties of Benzeneaceticacid, a-[(4-nitrobenzoyl)amino]- are as following: (1)ACD/LogP: 2.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.2; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 2.05; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 7; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 92.43 Å2; (12)Index of Refraction: 1.639; (13)Molar Refractivity: 77.1 cm3; (14)Molar Volume: 214.2 cm3; (15)Polarizability: 30.56×10-24cm3; (16)Surface Tension: 65 dyne/cm; (17)Density: 1.401 g/cm3; (18)Flash Point: 301.6 °C; (19)Enthalpy of Vaporization: 90.62 kJ/mol; (20)Boiling Point: 575.1 °C at 760 mmHg; (21)Vapour Pressure: 4.58E-14 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c2ccc(C(=O)NC(C(=O)O)c1ccccc1)cc2
(2)InChI: InChI=1/C15H12N2O5/c18-14(11-6-8-12(9-7-11)17(21)22)16-13(15(19)20)10-4-2-1-3-5-10/h1-9,13H,(H,16,18)(H,19,20)
(3)InChIKey: KKRVOLQYNMANNM-UHFFFAOYAB