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1092353-02-0

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Basic Information
CAS No.: 1092353-02-0
Name: 4-Bromopyridine-3-carboxylic acid ethyl ester
Molecular Structure:
Molecular Structure of 1092353-02-0 (4-Bromopyridine-3-carboxylic acid ethyl ester)
Formula: C8H8BrNO2
Molecular Weight: 230.05862
Synonyms: 4-Bromopyridine-3-carboxylic acid ethyl ester
Density: 1.501 g/cm3
Boiling Point: 268.1 °C at 760 mmHg
Flash Point: 115.9 °C
PSA: 39.19000
LogP: 2.02080
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Specification

The 4-Bromopyridine-2-sulfonyl chloride has CAS registry number 1060808-87-8. Its molecular formula is C8H8BrNO2 and molecular weight is 230.05862. What's more, its systematic name is Ethyl 4-bromopyridine-3-carboxylate.

Physical properties about the 4-Bromopyridine-3-carboxylic acid ethyl ester are: (1)ACD/LogP: 1.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.81; (4)ACD/LogD (pH 7.4): 1.81; (5)ACD/BCF (pH 5.5): 13.86; (6)ACD/BCF (pH 7.4): 13.87; (7)ACD/KOC (pH 5.5): 228.54; (8)ACD/KOC (pH 7.4): 228.58; (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)Surface Tension: 44.8 dyne/cm; (17)Density: 1.501 g/cm3; (18)Flash Point: 115.9 °C; (19)Enthalpy of Vaporization: 50.62 kJ/mol; (20)Boiling Point: 268.1 °C at 760 mmHg; (21)Vapour Pressure: 0.00784 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1ccncc1C(=O)OCC
(2) InChI: InChI=1/C8H8BrNO2/c1-2-12-8(11)6-5-10-4-3-7(6)9/h3-5H,2H2,1H3
(3) InChIKey: UOBGHESMEIUDKB-UHFFFAOYAP