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1188990-02-4
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Basic Information
CAS No.: 1188990-02-4
Name: (5-Bromofuro[2,3-b]pyridin-2-yl)methanol
Molecular Structure:
Molecular Structure of 1188990-02-4 ((5-Bromofuro[2,3-b]pyridin-2-yl)methanol)
Formula: C8H6BrNO2
Molecular Weight: 228.0427
Synonyms: (5-Bromofuro[2,3-b]pyridin-2-yl)methanol;5-BroMo-2-(hydroxyMethyl)furo[2,3-b]pyridine, 98%
Density: 1.76 g/cm3
Boiling Point: 326.789 °C at 760 mmHg
Flash Point: 151.437 °C
Hazard Symbols: Xi
Risk Codes: 36
Safety: 26
PSA: 46.26000
LogP: 2.08260
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Specification

This product's systematic name is (5-Bromofuro[2,3-b]pyridin-2-yl)methanol, with the CAS registry number of 1188990-02-4. This chemical's molecular formula is C8H6BrNO2 and molecular weight is 228.0427.

Physical properties about (5-Bromofuro[2,3-b]pyridin-2-yl)methanol are: (1)ACD/LogP: 0.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.686; (4)ACD/LogD (pH 7.4): 0.686; (5)ACD/BCF (pH 5.5): 1.957; (6)ACD/BCF (pH 7.4): 1.957; (7)ACD/KOC (pH 5.5): 56.27; (8)ACD/KOC (pH 7.4): 56.277; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 46.26 Å2; (13)Index of Refraction: 1.674; (14)Molar Refractivity: 48.628 cm3; (15)Molar Volume: 129.569 cm3; (16)Polarizability: 19.278×10-24 cm3; (17)Surface Tension: 61.79 dyne/cm; (18)Density: 1.76 g/cm3; (19)Flash Point: 151.437 °C; (20)Enthalpy of Vaporization: 60.068 kJ/mol; (21)Boiling Point: 326.789 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1c2cc(oc2ncc1Br)CO
(2) InChI: InChI=1/C8H6BrNO2/c9-6-1-5-2-7(4-11)12-8(5)10-3-6/h1-3,11H,4H2
(3) InChIKey: SJASNTWQPIYYBY-UHFFFAOYAK