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Name |
Boronicacid, B-[4-[[[(4-methoxyphenyl)methyl]methylamino]sulfonyl]phenyl]- |
EINECS | N/A |
CAS No. | 913835-54-8 | Density | 1.35g/cm3 |
PSA | 95.45000 | LogP | 1.27650 |
Solubility | N/A | Melting Point |
137-139°C |
Formula | C15H18BNO5S | Boiling Point | 545.2 °C at 760 mmHg |
Molecular Weight | 335.18312 | Flash Point | 283.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Boronicacid, [4-[[[(4-methoxyphenyl)methyl]methylamino]sulfonyl]phenyl]- (9CI); |
The Boronicacid, B-[4-[[[(4-methoxyphenyl)methyl]methylamino]sulfonyl]phenyl]-, with CAS registry number 913835-54-8, belongs to the following product categories: (1)Blocks; (2)Boronic Acids. It has the systematic name of [4-[(4-methoxyphenyl)methyl-methyl-sulfamoyl]phenyl]boronic acid. This chemical should be kept cold. And the chemical formula of this chemical is C15H18BNO5S.
Physical properties of Boronicacid, B-[4-[[[(4-methoxyphenyl)methyl]methylamino]sulfonyl]phenyl]-: (1)ACD/LogP: 2.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.52; (4)ACD/LogD (pH 7.4): 2.38; (5)#H bond acceptors: 6; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 8; (8)Polar Surface Area: 95.45 Å2; (9)Index of Refraction: 1.614; (10)Molar Refractivity: 86.32 cm3; (11)Molar Volume: 247.5 cm3; (12)Polarizability: 34.22×10-24cm3; (13)Surface Tension: 59.8 dyne/cm; (14)Density: 1.35 g/cm3; (15)Flash Point: 283.5 °C; (16)Enthalpy of Vaporization: 86.72 kJ/mol; (17)Boiling Point: 545.2 °C at 760 mmHg; (18)Vapour Pressure: 1.01E-12 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: B(c1ccc(cc1)S(=O)(=O)N(C)Cc2ccc(cc2)OC)(O)O
(2)InChI: InChI=1/C15H18BNO5S/c1-17(11-12-3-7-14(22-2)8-4-12)23(20,21)15-9-5-13(6-10-15)16(18)19/h3-10,18-19H,11H2,1-2H3
(3)InChIKey: ZBCCMISCUYAJDA-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C15H18BNO5S/c1-17(11-12-3-7-14(22-2)8-4-12)23(20,21)15-9-5-13(6-10-15)16(18)19/h3-10,18-19H,11H2,1-2H3
(5)Std. InChIKey: ZBCCMISCUYAJDA-UHFFFAOYSA-N