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CAS No.: | 62183-23-7 |
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Name: | (S)-4,5,5-TRIPHENYL-2-OXAZOLIDINONE |
Molecular Structure: | |
Formula: | C21H17 N O2 |
Molecular Weight: | 315.3652 |
Synonyms: | 4,5,5-Triphenyloxazolidin-2-one;NSC 267208; |
Density: | 1.197 g/cm3 |
Melting Point: | 245-249 °C(lit.) |
Boiling Point: | 513 °C at 760 mmHg |
Flash Point: | 264.1 °C |
Safety: | 22-24/25 |
PSA: | 38.33000 |
LogP: | 4.74010 |
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The 2-Oxazolidinone,4,5,5-triphenyl-, with the CAS registry number 62183-23-7, has the IUPAC name of 4,5,5-triphenyl-1,3-oxazolidin-2-one. And the molecular formula of this chemical is C21H17NO2. It is a kind of organics, and should be stored in the dry and cool environment.
The physical properties of 2-Oxazolidinone,4,5,5-triphenyl- are as following: (1)XLogP3-AA: 4.3 ; (2)H-Bond Donor: 1 ; (3)H-Bond Acceptor: 2 ; (4)Rotatable Bond Count: 3 ; (5)Tautomer Count: 2 ; (6)Exact Mass: 315.125929 ; (7)MonoIsotopic Mass: 315.125929 ; (8)Topological Polar Surface Area: 38.3; (9)Heavy Atom Count: 24; (10)Formal Charge: 0; (11)Complexity: 413; (12)Isotope Atom Count: 0; (13)Defined Atom StereoCenter Count: 0; (14)Undefined Atom StereoCenter Count: 1; (15)Defined Bond StereoCenter Count: 0; (16)Undefined Bond StereoCenter Count: 0; (17)Covalently-Bonded Unit Count: 1; (18)Feature 3D Acceptor Count: 1; (19)Feature 3D Donor Count: 1; (20)Feature 3D Ring Count: 4; (21)Effective Rotor Count: 3.8; (22)Conformer Sampling RMSD: 0.6; (23)CID Conformer Count: 11.
You can still convert the following datas into molecular structure:
(1)SMILES: C1=CC=C(C=C1)C2C(OC(=O)N2)(C3=CC=CC=C3)C4=CC=CC=C4
(2)InChI: InChI=1S/C21H17NO2/c23-20-22-19(16-10-4-1-5-11-16)21(24-20,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,19H,(H,22,23)
(3)InChIKey: QCWBJFYOEHCELV-UHFFFAOYSA-N