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CAS No.: | 486422-57-5 |
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Name: | 4-(1-PYRROLIDINYLSULFONYL)PHENYLBORONIC ACID |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C10H14BNO4S |
Molecular Weight: | 255.102 |
Synonyms: | [4-(Pyrrolidin-1-ylsulfonyl)phenyl]boronic acid; |
Density: | 1.417 g/cm3 |
Melting Point: | 275-277 °C |
Boiling Point: | 461.707 °C at 760 mmHg |
Flash Point: | 233.032 °C |
Hazard Symbols: | Xi |
PSA: | 86.22000 |
LogP: | 0.16960 |
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The Boronic acid,B-[4-(1-pyrrolidinylsulfonyl)phenyl]-, with the CAS registry number 486422-57-5, is also known as [4-(Pyrrolidin-1-ylsulfonyl)phenyl]boronic acid. It belongs to the product categories of Blocks; BoronicAcids; Sulfonamides. This chemical's molecular formula is C10H14BNO4S and molecular weight is 255.0985. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about Boronic acid,B-[4-(1-pyrrolidinylsulfonyl)phenyl]- are: (1)ACD/LogP: 1.09; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 4; (6)ACD/BCF (pH 7.4): 3; (7)ACD/KOC (pH 5.5): 101; (8)ACD/KOC (pH 7.4): 76; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 86.22 Å2; (13)Index of Refraction: 1.611; (14)Molar Refractivity: 62.467 cm3; (15)Molar Volume: 179.994 cm3; (16)Polarizability: 24.764×10-24 cm3; (17)Surface Tension: 62.82 dyne/cm; (18)Density: 1.417 g/cm3; (19)Flash Point: 233.032 °C; (20)Enthalpy of Vaporization: 76.138 kJ/mol; (21)Boiling Point: 461.707 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C; (23)Melting Point: 275-277 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(c1ccc(B(O)O)cc1)N2CCCC2
(2) InChI: InChI=1/C10H14BNO4S/c13-11(14)9-3-5-10(6-4-9)17(15,16)12-7-1-2-8-12/h3-6,13-14H,1-2,7-8H2
(3) InChIKey: LSQCNEYLDWKDHO-UHFFFAOYAN