2-Chloro-4-nitrophenyl-alpha-L-fucopyranoside supplier

Name
2-Chloro-4-nitrophenyl-alpha-L-fucopyranoside
EINECS 1806241-263-5
CAS No. 157843-41-9
Article Data2
CAS DataBase
Density 1.584 g/cm³
Solubility
Melting Point 137-139 °C
Formula C₁₂H₁₄ClNO₇
Boiling Point 527.3 °C at 760 mmHg
Molecular Weight 319.699
Flash Point 272.7 °C
Transport Information
Appearance White to off-white solid
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Chloro-4-nitrophenyla-L-fucopyranoside;
PSA 124.97000
LogP 0.97770

2-Chloro-4-nitrophenyl-alpha-L-fucopyranoside Specification

The 2-Chloro-4-nitrophenyl-alpha-L-fucopyranoside, with its CAS registry number 157843-41-9, has the systematic name of 2-chloro-4-nitrophenyl 6-deoxy-α-L-galactopyranoside. And it has the chemical formula of C₁₇H₂₄ClNO_7.

The characteristics of this chemical are as below: (1)ACD/LogP: 1.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.81; (4)ACD/LogD (pH 7.4): 1.81; (5)ACD/BCF (pH 5.5): 13.95; (6)ACD/BCF (pH 7.4): 13.95; (7)ACD/KOC (pH 5.5): 229.6; (8)ACD/KOC (pH 7.4): 229.6; (9)#H bond acceptors: 8; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 91.97; (13)Index of Refraction: 1.631; (14)Molar Refractivity: 71.87 cm³; (15)Molar Volume: 201.7 cm³; (16)Polarizability: 28.49×10^-24 cm³; (17)Surface Tension: 62.3 dyne/cm; (18)Density: 1.584 g/cm³; (19)Flash Point: 272.7 °C; (20)Enthalpy of Vaporization: 84.41 kJ/mol; (21)Boiling Point: 527.3 °C at 760 mmHg; (22)Vapour Pressure: 5.99E-12 mmHg at 25°C.

In addition, you could convert the following datas into the molecular structure:
(1)SMILES:[O-][N+](=O)c2ccc(O[C@@H]1O[C@H]([C@@H](O)[C@@H](O)[C@@H]1O)C)c(Cl)c2
(2)InChI:InChI=1/C12H14ClNO7/c1-5-9(15)10(16)11(17)12(20-5)21-8-3-2-6(14(18)19)4-7(8)13/h2-5,9-12,15-17H,1H3/t5-,9+,10+,11-,12-/m0/s1
(3)InChIKey:QURSGHQPKUXLAD-MOBXTKCLBG

Product Name

2-Chloro-4-nitrophenyl-alpha-L-fucopyranoside

2-Chloro-4-nitrophenyl-alpha-L-fucopyranoside Specification

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