Molecular Structure of Ethyl 4-bromo-1H-pyrrolo[2,3-b]pyridine-2-carboxylate (CAS No.942920-55-0):
Molecular Formula: C10H9BrN2O2
Molecular Weight: 269.09
CAS No: 942920-55-0
H bond acceptors: 4
H bond donors: 1
Freely Rotating Bonds: 3
Polar Surface Area: 54.98 Å2
Index of Refraction: 1.653
Molar Refractivity: 60.71 cm3
Molar Volume: 165.6 cm3
Surface Tension: 59.4 dyne/cm
Density: 1.624 g/cm3
InChI: InChI=1/C10H9BrN2O2/c1-2-15-10(14)8-5-6-7(11)3-4-12-9(6)13-8/h3-5H,2H2,1H3,(H,12,13)
InChIKey: VLZWUULVFAASBC-UHFFFAOYAC
Std. InChI: InChI=1S/C10H9BrN2O2/c1-2-15-10(14)8-5-6-7(11)3-4-12-9(6)13-8/h3-5H,2H2,1H3,(H,12,13)
Std. InChIKey: VLZWUULVFAASBC-UHFFFAOYSA-N
Product Categories: Chiral chemicals
Systematic Name: ethyl 4-Bromo-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
Ethyl 4-bromo-1H-pyrrolo[2,3-b]pyridine-2-carboxylate (CAS No.942920-55-0), its synonym is 1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid, 4-bromo-, ethyl ester .
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