Benzyl 4-(benzyloxy)-5-methoxy-2-nitrobenzoate supplier

Name
Benzyl 4-(benzyloxy)-5-methoxy-2-nitrobenzoate
EINECS
CAS No. 205259-40-1
Article Data6
CAS DataBase
Density 1.274
Solubility
Melting Point
Formula C₂₂H₁₉NO₆
Boiling Point 573.3 °C at 760 mmHg
Molecular Weight 393.396
Flash Point 228.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzyl 4-(benzyloxy)-5-methoxy-2-nitrobenzoate;
PSA 90.58000
LogP 5.06260

Benzyl 4-(benzyloxy)-5-methoxy-2-nitrobenzoate Specification

The Benzyl 4-(benzyloxy)-5-methoxy-2-nitrobenzoate is a kind of organic compounds with molecular formula of C₂₂H₁₉NO₆. Its cas registry number is 205259-40-1. This chemical also systematic name and IUPAC name which are called benzyl 4-(benzyloxy)-5-methoxy-2-nitrobenzoate .

Physical properties about this chemical are: (1) ACD/LogP: 5.42 ; (2) # of Rule of 5 Violations: 1 ; (3) ACD/LogD (pH 5.5): 5.42 ; (4) ACD/LogD (pH 7.4): 5.42 ; (5) ACD/BCF (pH 5.5): 7773.09 ; (6) ACD/BCF (pH 7.4): 7773.09 ; (7) ACD/KOC (pH 5.5): 21206.92 ; (8) ACD/KOC (pH 7.4): 21206.92 ; (9) #H bond acceptors: 7 ; (10) #H bond donors: 0 ; (11) #Freely Rotating Bonds: 9 ; (12) Polar Surface Area: 90.58 Å² ; (13) Index of Refraction: 1.609 ; (14) Molar Refractivity: 106.9 cm³ ; (15) Molar Volume: 308.5 cm³ ; (16) Surface Tension: 51.1 dyne/cm ; (17) Density: 1.274 g/cm³ ; (18) Flash Point: 228.7 °C ; (19) Enthalpy of Vaporization: 85.92 kJ/mol ; (20) Boiling Point: 573.3 °C at 760 mmHg ; (21) Vapour Pressure: 3.78E-13 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1) SMILES:[O-][N+](=O)c2cc(OCc1ccccc1)c(OC)cc2C(=O)OCc3ccccc3;
(2) InChI:InChI=1/C22H19NO6/c1-27-20-12-18(22(24)29-15-17-10-6-3-7-11-17)19(23(25)26)13-21(20)28-14-16-8-4-2-5-9-16/h2-13H,14-15H2,1H3;
(3) InChIKey:JQROUMRXLGWYTK-UHFFFAOYAZ

Product Name

Benzyl 4-(benzyloxy)-5-methoxy-2-nitrobenzoate

Benzyl 4-(benzyloxy)-5-methoxy-2-nitrobenzoate Specification

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