CAS No.212837-49-5,2,3-Difluoro-4-propoxylphenylboronic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	212837-49-5
Name:	2,3-Difluoro-4-propoxylphenylboronic acid

Formula:	C₉H₁₁BF₂O₃
Molecular Weight:	215.99
Synonyms:	Boronic acid, (2,3-difluoro-4-propoxyphenyl)- (9CI);2,3-Difluoro-4-propyloxyphenylboric acid;
Density:	1.256 g/cm³
Boiling Point:	328.566 °C at 760 mmHg
Flash Point:	152.511 °C
PSA:	49.69000
LogP:	0.43340

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Specification

The 2,3-Difluoro-4-propoxylphenylboronic acid, with the CAS registry number 212837-49-5, is also known as Boronic acid, (2,3-difluoro-4-propoxyphenyl)- (9CI). This chemical's molecular formula is C₉H₁₁BF₂O₃ and molecular weight is 215.99. What's more, its systematic name is (2,3-Difluoro-4-propoxyphenyl)boronic acid.

Physical properties of 2,3-Difluoro-4-propoxylphenylboronic acid are: (1)ACD/LogP: 2.581; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.58; (4)ACD/LogD (pH 7.4): 2.30; (5)ACD/BCF (pH 5.5): 53.25; (6)ACD/BCF (pH 7.4): 27.92; (7)ACD/KOC (pH 5.5): 596.88; (8)ACD/KOC (pH 7.4): 312.89; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 49.69 Å²; (13)Index of Refraction: 1.484; (14)Molar Refractivity: 49.141 cm³; (15)Molar Volume: 171.9 cm³; (16)Polarizability: 19.481×10^-24cm³; (17)Surface Tension: 37.4 dyne/cm; (18)Density: 1.256 g/cm³; (19)Flash Point: 152.511 °C; (20)Enthalpy of Vaporization: 60.271 kJ/mol; (21)Boiling Point: 328.566 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1ccc(c(c1F)F)OCCC)(O)O
(2)Std. InChI: InChI=1S/C9H11BF2O3/c1-2-5-15-7-4-3-6(10(13)14)8(11)9(7)12/h3-4,13-14H,2,5H2,1H3
(3)Std. InChIKey: CWSUICOAENAGCO-UHFFFAOYSA-N