CAS No.168473-87-8,ETHYL 4-BROMO-3-NITROBENZOATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	168473-87-8
Name:	ETHYL 4-BROMO-3-NITROBENZOATE
Article Data:	2

Formula:	C₉H₈BrNO₄
Molecular Weight:	274.071
Synonyms:	Ethyl 4-bromo-3-nitrobenzoate;4-Bromo-3-nitro-benzoic acid ethyl ester;
Density:	1.594 g/cm³
Boiling Point:	333.9 °C at 760 mmHg
Flash Point:	155.7 °C
PSA:	72.12000
LogP:	3.05720

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Specification

The Benzoicacid, 4-bromo-3-nitro-, ethyl ester, with the CAS registry number 168473-87-8, is also known as 4-Bromo-3-nitro-benzoic acid ethyl ester. This chemical's molecular formula is C₉H₈BrNO₄ and molecular weight is 274.07. What's more, its systematic name is Ethyl 4-bromo-3-nitrobenzoate.

Physical properties of Benzoicacid, 4-bromo-3-nitro-, ethyl ester are: (1)ACD/LogP: 2.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.9; (4)ACD/LogD (pH 7.4): 2.9; (5)ACD/BCF (pH 5.5): 94.47; (6)ACD/BCF (pH 7.4): 94.47; (7)ACD/KOC (pH 5.5): 902.68; (8)ACD/KOC (pH 7.4): 902.68; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 72.12 Å²; (13)Index of Refraction: 1.576; (14)Molar Refractivity: 56.89 cm³; (15)Molar Volume: 171.8 cm³; (16)Polarizability: 22.55×10^-24cm³; (17)Surface Tension: 50.3 dyne/cm; (18)Density: 1.594 g/cm³; (19)Flash Point: 155.7 °C; (20)Enthalpy of Vaporization: 57.68 kJ/mol; (21)Boiling Point: 333.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000133 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1cc(ccc1Br)C(=O)OCC
(2)InChI: InChI=1/C9H8BrNO4/c1-2-15-9(12)6-3-4-7(10)8(5-6)11(13)14/h3-5H,2H2,1H3
(3)InChIKey: HWABKOBGQZQMAL-UHFFFAOYSA-N