CAS No.52221-92-8,3-(2-Bromo-phenyl)-propan-1-ol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	52221-92-8
Name:	3-(2-Bromo-phenyl)-propan-1-ol
Article Data:	43

Formula:	C₉H₁₁BrO
Molecular Weight:	215.09
Synonyms:	3-(2-Bromophenyl)propan-1-ol;
Density:	1.411 g/cm³
Boiling Point:	294.972 °C at 760 mmHg
Flash Point:	132.195 °C
PSA:	20.23000
LogP:	2.37400

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Specification

This chemical is an organic compound with the formula C₉H₁₁BrO. The systematic name of this chemical is 3-(2-bromophenyl)propan-1-ol. The CAS registry number is 52221-92-8 and the molecular weight is 215.09.

The other characteristics of 3-(2-Bromophenyl)propan-1-ol can be summarized as: (1)ACD/LogP: 2.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 61; (6)ACD/BCF (pH 7.4): 61; (7)ACD/KOC (pH 5.5): 659; (8)ACD/KOC (pH 7.4): 659; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 20.23 Å²; (13)Index of Refraction: 1.565; (14)Molar Refractivity: 49.66 cm³; (15)Molar Volume: 152.448 cm³; (16)Polarizability: 19.687×10^-24cm³; (17)Surface Tension: 43.22 dyne/cm; (18)Enthalpy of Vaporization: 56.462 kJ/mol; (19)Vapour Pressure: 0.001 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES:Brc1ccccc1CCCO
2. InChI:InChI=1/C9H11BrO/c10-9-6-2-1-4-8(9)5-3-7-11/h1-2,4,6,11H,3,5,7H2
3. InChIKey:VODAJGPTULSNSU-UHFFFAOYAG
4. Std. InChI:InChI=1S/C9H11BrO/c10-9-6-2-1-4-8(9)5-3-7-11/h1-2,4,6,11H,3,5,7H2
5. Std. InChIKey:VODAJGPTULSNSU-UHFFFAOYSA-N