CAS No.143262-17-3,7-BROMO-2,3-DIHYDRO-INDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER Suppliers

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Basic Information

Molecular Structure:
CAS No.:	143262-17-3
Name:	7-BROMO-2,3-DIHYDRO-INDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
Article Data:	2

Formula:	C₁₃H₁₆BrNO₂
Molecular Weight:	298.18
Synonyms:	7-Bromo-2,3-dihydroindole-1-carboxylic acid tert-butyl ester;N-Boc-7-bromoindoline;
Density:	1.4 g/cm³
Boiling Point:	349.9 °C at 760 mmHg
Flash Point:	165.4 °C
PSA:	29.54000
LogP:	3.81170

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Specification

The CAS register number of N-Boc-7-bromoindoline is 143262-17-3. It also can be called as 7-Bromo-2,3-dihydroindole-1-carboxylic acid tert-butyl ester and the IUPAC name about this chemical is tert-butyl 7-bromo-2,3-dihydroindole-1-carboxylate. The molecular formula about this chemical is C₁₃H₁₆BrNO₂and molecular weight is 298.18. It belongs to the Indoline & Oxindole.

Physical properties about N-Boc-7-bromoindoline are: (1)ACD/LogP: 4.34; (2)ACD/LogD (pH 5.5): 4.34; (3)ACD/LogD (pH 7.4): 4.34; (4)ACD/BCF (pH 5.5): 1161.02; (5)ACD/BCF (pH 7.4): 1161.03; (6)ACD/KOC (pH 5.5): 5437.66; (7)ACD/KOC (pH 7.4): 5437.68; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 29.54Å²; (11)Index of Refraction: 1.57; (12)Molar Refractivity: 69.88 cm³; (13)Molar Volume: 212.9 cm³; (14)Polarizability: 27.7x10^-24cm³; (15)Surface Tension: 45.1 dyne/cm; (16)Enthalpy of Vaporization: 59.45 kJ/mol; (17)Boiling Point: 349.9 °C at 760 mmHg; (18)Vapour Pressure: 4.55E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N2CCc1cccc(Br)c12
(2)InChI: InChI=1/C13H16BrNO2/c1-13(2,3)17-12(16)15-8-7-9-5-4-6-10(14)11(9)15/h4-6H,7-8H2,1-3H3
(3)InChIKey: LHLSVTIQYUAATK-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C13H16BrNO2/c1-13(2,3)17-12(16)15-8-7-9-5-4-6-10(14)11(9)15/h4-6H,7-8H2,1-3H3
(5)Std. InChIKey: LHLSVTIQYUAATK-UHFFFAOYSA-N