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173604-33-6

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Basic Information
CAS No.: 173604-33-6
Name: (R)-(+)-4-(DIPHENYLMETHYL)-2-OXAZOLIDIN&
Article Data: 4
Molecular Structure:
Molecular Structure of 173604-33-6 ((R)-(+)-4-(DIPHENYLMETHYL)-2-OXAZOLIDIN&)
Formula: C16H15NO2
Molecular Weight: 253.301
Synonyms: 2-Oxazolidinone,4-(diphenylmethyl)-, (R)-;(R)-4-(Diphenylmethyl)-2-oxazolidinone;
Density: 1.181 g/cm3
Melting Point: 145-148 °C(lit.)
Boiling Point: 472.603 °C at 760 mmHg
Flash Point: 239.622 °C
Solubility: Slightly soluble in water.
Hazard Symbols: Xi
Risk Codes: 36/37/38
Safety: 26
PSA: 38.33000
LogP: 3.25570
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Specification

The 2-Oxazolidinone,4-(diphenylmethyl)-, (4R)-, with the CAS registry number 173604-33-6, has the systematic name of (4R)-4-(diphenylmethyl)-1,3-oxazolidin-2-one. And the molecular formula of this chemical is C16H15NO2. It belongs to the following product categories: Asymmetric Synthesis; Chiral Auxiliaries; Oxazolidinone Derivatives.

The physical properties of 2-Oxazolidinone,4-(diphenylmethyl)-, (4R)- are as following: (1)ACD/LogP: 1.53; (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): 223; (6)ACD/BCF (pH 7.4): 223; (7)ACD/KOC (pH 5.5): 1668; (8)ACD/KOC (pH 7.4): 1668; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 38.33 Å2; (13)Index of Refraction: 1.591; (14)Molar Refractivity: 72.486 cm3; (15)Molar Volume: 214.431 cm3; (16)Polarizability: 28.736×10-24cm3; (17)Surface Tension: 45.831 dyne/cm; (18)Density: 1.181 g/cm3; (19)Flash Point: 239.622 °C; (20)Enthalpy of Vaporization: 73.557 kJ/mol; (21)Boiling Point: 472.603 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1OC[C@H](N1)C(c2ccccc2)c3ccccc3
(2)InChI: InChI=1/C16H15NO2/c18-16-17-14(11-19-16)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14-15H,11H2,(H,17,18)/t14-/m0/s1
(3)InChIKey: QEOCTJMBYZNEJH-AWEZNQCLBC