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75816-19-2

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Basic Information
CAS No.: 75816-19-2
Name: 7-Bromo-L-tryptophan
Article Data: 16
Molecular Structure:
Molecular Structure of 75816-19-2 (7-Bromo-L-tryptophan)
Formula: C11H11BrN2O2
Molecular Weight: 283.125
Synonyms: 7-BROMO-L-TRYPTOPHAN
Density: 1.704 g/cm3
Boiling Point: 495.8 °C at 760 mmHg
Flash Point: 253.7 °C
PSA: 79.11000
LogP: 2.58510
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Specification

The cas register number of 7-Bromo-L-tryptophan is 75816-19-2. The Systematic name about this chemical is 5-bromotryptophan.

Physical properties about 7-Bromo-L-tryptophan are: (1)ACD/LogP: 1.90; (2)ACD/LogD (pH 5.5): -0.6; (3)ACD/LogD (pH 7.4): -0.61; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 34.47Å2; (12)Index of Refraction: 1.718; (13)Molar Refractivity: 65.45 cm3; (14)Molar Volume: 166 cm3; (15)Polarizability: 25.95x10-24cm3; (16)Surface Tension: 73.2 dyne/cm; (17)Enthalpy of Vaporization: 80.41 kJ/mol; (18)Vapour Pressure: 1.19E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(N)Cc2c1cc(Br)ccc1nc2
(2)InChI: InChI=1/C11H11BrN2O2/c12-7-1-2-10-8(4-7)6(5-14-10)3-9(13)11(15)16/h1-2,4-5,9,14H,3,13H2,(H,15,16)
(3)InChIKey: KZDNJQUJBMDHJW-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C11H11BrN2O2/c12-7-1-2-10-8(4-7)6(5-14-10)3-9(13)11(15)16/h1-2,4-5,9,14H,3,13H2,(H,15,16)
(5)Std. InChIKey: KZDNJQUJBMDHJW-UHFFFAOYSA-N