CAS No.53087-78-8,2-BROMONICOTINIC ACID ETHYL ESTER Suppliers

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Basic Information

Molecular Structure:
CAS No.:	53087-78-8
Name:	2-BROMONICOTINIC ACID ETHYL ESTER

Formula:	C₈H₈BrNO₂
Molecular Weight:	230.0586
Synonyms:	Ethyl 2-bromonicotinate;
Density:	1.501 g/cm³
Boiling Point:	271.3 °C at 760 mmHg
Flash Point:	117.9 °C
PSA:	39.19000
LogP:	2.02080

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Specification

The 3-Pyridinecarboxylicacid, 2-bromo-, ethyl ester, with the CAS registry number 53087-78-8, is also known as Ethyl 2-bromonicotinate. This chemical's molecular formula is C₈H₈BrNO₂ and molecular weight is 230.0586. What's more, its systematic name is called Ethyl 2-bromopyridine-3-carboxylate.

Physical properties about 3-Pyridinecarboxylicacid, 2-bromo-, ethyl ester are: (1)ACD/LogP: 1.80; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.8; (4)ACD/LogD (pH 7.4): 1.8; (5)ACD/BCF (pH 5.5): 13.65; (6)ACD/BCF (pH 7.4): 13.65; (7)ACD/KOC (pH 5.5): 226.04; (8)ACD/KOC (pH 7.4): 226.04; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 39.19 Å²; (13)Index of Refraction: 1.544; (14)Molar Refractivity: 48.44 cm³; (15)Molar Volume: 153.2 cm³; (16)Polarizability: 19.2×10^-24 cm³; (17)Surface Tension: 44.8 dyne/cm; (18)Density: 1.501 g/cm³; (19)Flash Point: 117.9 °C; (20)Enthalpy of Vaporization: 50.95 kJ/mol; (21)Boiling Point: 271.3 °C at 760 mmHg; (22)Vapour Pressure: 0.0065 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)c1cccnc1Br
(2) InChI: InChI=1/C8H8BrNO2/c1-2-12-8(11)6-4-3-5-10-7(6)9/h3-5H,2H2,1H3
(3) InChIKey: QOFKYVXBHUEWBX-UHFFFAOYAG