Boronicacid, B-[4-(4-morpholinylsulfonyl)phenyl]- (486422-68-8)

Identification
Name:	Boronicacid, B-[4-(4-morpholinylsulfonyl)phenyl]-
Synonyms:	Boronicacid, [4-(4-morpholinylsulfonyl)phenyl]- (9CI);(4-Morpholinosulfonylphenyl)boronic acid;4-(Morpholin-4-ylsulfonyl)benzeneboronicacid;[4-[(Morpholin-4-yl)sulfonyl]phenyl]boronic acid;
CAS:	486422-68-8
Molecular Formula:	C₁₀H₁₄BNO₅S
Molecular Weight:	271.10
Molecular Structure:
Properties
Density:	1.45
Specification:	The 4-(Morpholinosulfonyl)phenylboronic acid is an organic compound with the formula C₁₀H₁₄BNO₅S. The systematic name of this chemical is (4-morpholinosulfonylphenyl)boronic acid. With the CAS registry number 486422-68-8, it is also named as boronic acid, B-[4-(4-morpholinylsulfonyl)phenyl]-. Physical properties about 4-(Morpholinosulfonyl)phenylboronic acid are: (1)ACD/LogP: 0.44; (2)ACD/LogD (pH 5.5): 0.44; (3)ACD/LogD (pH 7.4): 0.34; (4)#H bond acceptors: 6; (5)#H bond donors: 2; (6)#Freely Rotating Bonds: 5; (7)Polar Surface Area: 95.45 Å²; (8)Index of Refraction: 1.606; (9)Molar Refractivity: 64.2 cm³; (10)Molar Volume: 186.1 cm³; (11)Polarizability: 25.45×10^-24cm³; (12)Surface Tension: 64.2 dyne/cm; (13)Density: 1.45 g/cm³; (14)Flash Point: 253.1 °C; (15)Enthalpy of Vaporization: 80.28 kJ/mol; (16)Boiling Point: 494.9 °C at 760 mmHg; (17)Vapour Pressure: 1.3E-10 mmHg at 25°C. You can still convert the following datas into molecular structure: (1)SMILES: O=S(=O)(N1CCOCC1)c2ccc(cc2)B(O)O (2)InChI: InChI=1/C10H14BNO5S/c13-11(14)9-1-3-10(4-2-9)18(15,16)12-5-7-17-8-6-12/h1-4,13-14H,5-8H2 (3)InChIKey: BRRALDPVXKGEEE-UHFFFAOYAZ (4)Std. InChI: InChI=1S/C10H14BNO5S/c13-11(14)9-1-3-10(4-2-9)18(15,16)12-5-7-17-8-6-12/h1-4,13-14H,5-8H2 (5)Std. InChIKey: BRRALDPVXKGEEE-UHFFFAOYSA-N
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Boronicacid, B-[4-(4-morpholinylsulfonyl)phenyl]- (486422-68-8)

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