57102-97-3 price
1.Introduction of 57102-97-3
57102-97-3 is the CAS registry number of the substance 3-bromo-9-ethylcarbazole. It has synonyms of N-ethyl-6-br
1.Introduction of 57102-97-3
57102-97-3 is the CAS registry number of the substance 3-bromo-9-ethylcarbazole. It has synonyms of N-ethyl-6-bromo-carbazole; 3-bromo-9-ethylcarbazole; 9H-carbazole, 3-bromo-9-ethyl-; 3-bromo-9-ethyl-9H-carbazole.
2.Properties of 57102-97-3
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ACD/LogP: 5.293
# of Rule of 5 Violations: 1
ACD/LogD (pH 5.5): 5.29
ACD/LogD (pH 7.4): 5.29
ACD/BCF (pH 5.5): 6204.82
ACD/BCF (pH 7.4): 6204.82
ACD/KOC (pH 5.5): 18047.93
ACD/KOC (pH 7.4): 18047.93
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
Polar Surface Area: 4.93?2
Index of Refraction: 1.646
Molar Refractivity: 70.744 cm3
Molar Volume: 194.914 cm3
Polarizability: 28.045 10-24cm3
Surface Tension: 43.5260009765625 dyne/cm
Density: 1.407 g/cm3
Flash Point: 195.245 °C
Enthalpy of Vaporization: 64.992 kJ/mol
Boiling Point: 399.226 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C
3.Structure Descriptors of 57102-97-3
(1)InChI: InChI=1S/C14H12BrN/c1-2-16-13-6-4-3-5-11(13)12-9-10(15)7-8-14(12)16/h3-
9H,2H2,1H3
(2)InChIKey: PPHYYUDMDADQPF-UHFFFAOYSA-N
(3)Canonical SMILES : CCN1C2=C(C=C(C=C2)Br)C3=CC=CC=C31
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