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486422-68-8

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Basic Information
CAS No.: 486422-68-8
Name: 4-(morpholinosulfonyl)phenylboronic acid
Article Data: 4
Molecular Structure:
Molecular Structure of 486422-68-8 (4-(morpholinosulfonyl)phenylboronic acid)
Formula: C10H14BNO5S
Molecular Weight: 271.102
Synonyms: Boronicacid, [4-(4-morpholinylsulfonyl)phenyl]- (9CI);(4-Morpholinosulfonylphenyl)boronic acid;4-(Morpholin-4-ylsulfonyl)benzeneboronicacid;[4-[(Morpholin-4-yl)sulfonyl]phenyl]boronic acid;
Density: 1.45 g/cm3
Boiling Point: 494.9 °C at 760 mmHg
Flash Point: 253.1 °C
PSA: 95.45000
LogP: -0.59400
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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