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Name |
Boronic acid,B-[3-fluoro-4-(1-pyrrolidinylcarbonyl)phenyl]- |
EINECS | N/A |
CAS No. | 874289-09-5 | Density | 1.32 g/cm3 |
PSA | 60.77000 | LogP | -0.32060 |
Solubility | N/A | Melting Point |
107-109 °C |
Formula | C11H13BFNO3 | Boiling Point | 457.7 °C at 760 mmHg |
Molecular Weight | 237.039 | Flash Point | 230.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Boronicacid, [3-fluoro-4-(1-pyrrolidinylcarbonyl)phenyl]- (9CI);3-Fluoro-4-((pyrrolidin-1-yl)carbonyl)phenyl boronic acid; |
The Boronic acid,B-[3-fluoro-4-(1-pyrrolidinylcarbonyl)phenyl]- is an organic compound with the formula C11H13BFNO3. The systematic name of this chemical is [3-fluoro-4-(pyrrolidine-1-carbonyl)phenyl]boronic acid. With the CAS registry number 874289-09-5, the product's categories are Blocks; BoronicAcids.
Physical properties about Boronic acid,B-[3-fluoro-4-(1-pyrrolidinylcarbonyl)phenyl]- are: (1)#H bond acceptors: 4; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 4; (4)Polar Surface Area: 60.77 Å2; (5)Index of Refraction: 1.569; (6)Molar Refractivity: 58.5 cm3; (7)Molar Volume: 178.4 cm3; (8)Polarizability: 23.19×10-24cm3; (9)Surface Tension: 52.2 dyne/cm; (10)Density: 1.32 g/cm3; (11)Flash Point: 230.6 °C; (12)Enthalpy of Vaporization: 75.64 kJ/mol; (13)Boiling Point: 457.7 °C at 760 mmHg; (14)Vapour Pressure: 3.6E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: B(c1ccc(c(c1)F)C(=O)N2CCCC2)(O)O
(2)InChI: InChI=1/C11H13BFNO3/c13-10-7-8(12(16)17)3-4-9(10)11(15)14-5-1-2-6-14/h3-4,7,16-17H,1-2,5-6H2
(3)InChIKey: CAXRHKUORHQHNG-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C11H13BFNO3/c13-10-7-8(12(16)17)3-4-9(10)11(15)14-5-1-2-6-14/h3-4,7,16-17H,1-2,5-6H2
(5)Std. InChIKey: CAXRHKUORHQHNG-UHFFFAOYSA-N