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CAS No.: | 199328-35-3 |
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Name: | BENZENEACETIC ACID, 4-BROMO-2-NITRO-, ETHYL ESTER |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C10H10BrNO4 |
Molecular Weight: | 288.098 |
Synonyms: | (4-Bromo-2-nitrophenyl)aceticacid ethyl ester;Ethyl 2-(4-Bromo-2-nitrophenyl)acetate; |
Density: | 1.542 g/cm3 |
Boiling Point: | 345.214 °C at 760 mmHg |
Flash Point: | 162.58 °C |
PSA: | 72.12000 |
LogP: | 2.98610 |
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The Benzeneaceticacid, 4-bromo-2-nitro-, ethyl ester, with the CAS registry number 199328-35-3, has the systematic name of ethyl (4-bromo-2-nitrophenyl)acetate. And the molecular formula of this chemical is C10H10BrNO4. It is a kind of organics, and should be stored in the dry and cool environment.
The physical properties of Benzeneaceticacid, 4-bromo-2-nitro-, ethyl ester are as following: (1)ACD/LogP: 3.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 79; (6)ACD/BCF (pH 7.4): 79; (7)ACD/KOC (pH 5.5): 798; (8)ACD/KOC (pH 7.4): 798; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 72.12 Å2; (13)Index of Refraction: 1.568; (14)Molar Refractivity: 61.078 cm3; (15)Molar Volume: 186.773 cm3; (16)Polarizability: 24.213×10-24cm3; (17)Surface Tension: 48.998 dyne/cm; (18)Density: 1.542 g/cm3; (19)Flash Point: 162.58 °C; (20)Enthalpy of Vaporization: 58.926 kJ/mol; (21)Boiling Point: 345.214 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(c(CC(=O)OCC)cc1)[N+]([O-])=O
(2)InChI: InChI=1/C10H10BrNO4/c1-2-16-10(13)5-7-3-4-8(11)6-9(7)12(14)15/h3-4,6H,2,5H2,1H3
(3)InChIKey: VZLHDZQLBGMIGO-UHFFFAOYAB