Name: Boronic acid, [4-(difluoromethoxy)phenyl]- (9CI)
SKU: 688810-12-0

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Basic Information

Molecular Structure:
CAS No.:	688810-12-0
Name:	Boronic acid, [4-(difluoromethoxy)phenyl]- (9CI)

Formula:	C₇H₇BF₂O₃
Molecular Weight:	187.939
Synonyms:	Boronicacid, [4-(difluoromethoxy)phenyl]- (9CI);4-Difluoromethoxybenzeneboronic acid;
Density:	1.33 g/cm³
Boiling Point:	299.8 °C at 760 mmHg
Flash Point:	135.1 °C
PSA:	49.69000
LogP:	-0.03220

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Specification

This chemical is called Boronic acid,B-[4-(difluoromethoxy)phenyl]-, and its systematic name is [4-(Difluoromethoxy)phenyl]boronic acid. With the molecular formula of C₇H₇BF₂O₃, its molecular weight is 187.94. The CAS registry number of the chemical is 688810-12-0. Additionally, its product category is Boronicacid.

Other characteristics of Boronic acid,B-[4-(difluoromethoxy)phenyl]- can be summarised as followings: (1)ACD/LogP: 1.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.68; (4)ACD/LogD (pH 7.4): 1.64; (5)ACD/BCF (pH 5.5): 11.21; (6)ACD/BCF (pH 7.4): 10.23; (7)ACD/KOC (pH 5.5): 196.21; (8)ACD/KOC (pH 7.4): 179.09; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 49.69 Å²; (13)Index of Refraction: 1.478; (14)Molar Refractivity: 39.87 cm³; (15)Molar Volume: 140.6 cm³; (16)Polarizability: 15.8×10^-24cm³; (17)Surface Tension: 36.8 dyne/cm; (18)Density: 1.33 g/cm³; (19)Flash Point: 135.1 °C; (20)Enthalpy of Vaporization: 57 kJ/mol; (21)Boiling Point: 299.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000521 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: FC(F)Oc1ccc(cc1)B(O)O
2.InChI: InChI=1/C7H7BF2O3/c9-7(10)13-6-3-1-5(2-4-6)8(11)12/h1-4,7,11-12H
3.InChIKey: MFZNJRNTHPKCFY-UHFFFAOYAD
4.Std. InChI: InChI=1S/C7H7BF2O3/c9-7(10)13-6-3-1-5(2-4-6)8(11)12/h1-4,7,11-12H
5.Std. InChIKey: MFZNJRNTHPKCFY-UHFFFAOYSA-N