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852391-45-8

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Basic Information
CAS No.: 852391-45-8
Name: 7-Bromo-DL-tryptophan
Article Data: 3
Molecular Structure:
Molecular Structure of 852391-45-8 (7-Bromo-DL-tryptophan)
Formula: C11H11BrN2O2
Molecular Weight: 283.125
Synonyms: 7-Bromotryptophan;
Density: 1.705 g/cm3
Boiling Point: 495.849 °C at 760 mmHg
Flash Point: 253.68 °C
PSA: 79.11000
LogP: 2.58510
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Specification

The CAS register number of 7-Bromotryptophan is 852391-45-8. It also can be called as Tryptophan, 7-bromo- and the systematic name about this chemical is 7-bromotryptophan. The molecular formula about this chemical is C11H11BrN2O2 and molecular weight is 283.12.

Physical properties about 7-Bromotryptophan are: (1)ACD/LogP: 1.46; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 4; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 79.11Å2; (10)Index of Refraction: 1.718; (11)Molar Refractivity: 65.459 cm3; (12)Molar Volume: 166.06 cm3; (13)Polarizability: 25.95x10-24cm3; (14)Surface Tension: 73.243 dyne/cm; (15)Enthalpy of Vaporization: 80.405 kJ/mol; (16)Boiling Point: 495.849 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)C(N)Cc2cnc1c(Br)cccc12
(2)InChI: InChI=1/C11H11BrN2O2/c12-8-3-1-2-7-6(5-14-10(7)8)4-9(13)11(15)16/h1-3,5,9,14H,4,13H2,(H,15,16)
(3)InChIKey: VMMOOBBCGTVDGP-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C11H11BrN2O2/c12-8-3-1-2-7-6(5-14-10(7)8)4-9(13)11(15)16/h1-3,5,9,14H,4,13H2,(H,15,16)
(5)Std. InChIKey: VMMOOBBCGTVDGP-UHFFFAOYSA-N