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188730-94-1

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Basic Information
CAS No.: 188730-94-1
Name: Oxirane, [3-nitro-4-(phenylmethoxy)phenyl]-, (2R)-
Article Data: 5
Molecular Structure:
Molecular Structure of 188730-94-1 (Oxirane, [3-nitro-4-(phenylmethoxy)phenyl]-, (2R)-)
Formula: C15H13NO4
Molecular Weight: 271.273
Synonyms: Oxirane, [3-nitro-4-(phenylmethoxy)phenyl]-, (R)-;Oxirane, [3-nitro-4-(phenylmethoxy)phenyl]-, (2R)- (9CI);(R)-(4-Benzyloxy-3-nitrophenyl)oxirane;(R)-2-(3-Nitro-4-benzyloxyphenyl)oxirane;
Density: 1.323 g/cm3
Boiling Point: 438.502 °C at 760 mmHg
Flash Point: 195.617 °C
PSA: 67.58000
LogP: 3.76830
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Specification

The (R)-2-(4-Benzyloxy-3-nitrophenyl)oxirane, with the CAS registry number 188730-94-1, is also known as (R)-(4-Benzyloxy-3-nitrophenyl)oxirane. This chemical's molecular formula is C15H13NO4 and molecular weight is 271.27. What's more, its systematic name is (2R)-2-[4-(Benzyloxy)-3-nitrophenyl]oxirane.

Physical properties of (R)-2-(4-Benzyloxy-3-nitrophenyl)oxirane are: (1)ACD/LogP: 2.343; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.34; (4)ACD/LogD (pH 7.4): 2.34; (5)ACD/BCF (pH 5.5): 35.57; (6)ACD/BCF (pH 7.4): 35.57; (7)ACD/KOC (pH 5.5): 448.60; (8)ACD/KOC (pH 7.4): 448.60; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 67.58 Å2; (13)Index of Refraction: 1.63; (14)Molar Refractivity: 72.984 cm3; (15)Molar Volume: 205.013 cm3; (16)Polarizability: 28.933×10-24cm3; (17)Surface Tension: 56.625 dyne/cm; (18)Density: 1.323 g/cm3; (19)Flash Point: 195.617 °C; (20)Enthalpy of Vaporization: 66.849 kJ/mol; (21)Boiling Point: 438.502 °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-][N+](=O)c2c(OCc1ccccc1)ccc(c2)[C@H]3OC3
(2)Std. InChI: InChI=1S/C15H13NO4/c17-16(18)13-8-12(15-10-20-15)6-7-14(13)19-9-11-4-2-1-3-5-11/h1-8,15H,9-10H2/t15-/m0/s1
(3)Std. InChIKey: MOGUBMMGIJLRHQ-HNNXBMFYSA-N