(2,2-difluoro-2H-1,3-benzodioxol-5-yl)boronic acid

Product Information

Molecular Formula:
C7H5BF2O4
Molecular Weight:
201.92
Description
(2,2-difluoro-2H-1,3-benzodioxol-5-yl)boronic acid (CAS# 190903-71-0) is a useful research chemical.
Synonyms
(2,2-difluoro-1,3-benzodioxol-5-yl)boronic acid; (2,2-difluoro-1,3-benzodioxol-5-yl)boronic acid
IUPAC Name
(2,2-difluoro-1,3-benzodioxol-5-yl)boronic acid
Canonical SMILES
B(C1=CC2=C(C=C1)OC(O2)(F)F)(O)O
InChI
InChI=1S/C7H5BF2O4/c9-7(10)13-5-2-1-4(8(11)12)3-6(5)14-7/h1-3,11-12H
InChI Key
OTTIPUIRDXSIBG-UHFFFAOYSA-N
Flash Point
Not applicable
LogP
-0.31210

Safety Information

Hazards
H319
Precautionary Statement
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
1
Exact Mass
202.0248951 g/mol
Monoisotopic Mass
202.0248951 g/mol
Topological Polar Surface Area
58.9Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
226
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
CN-113072542-A ROR gamma t inhibitor and preparation method and application thereof 2020-01-06
WO-2021139595-A1 RORγT INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 2020-01-06
TW-202136238-A RORγt inhibitor and its preparation method and use 2020-01-06
WO-2021074281-A1 Substituted azacyles as trmp8 modulators 2019-10-17
WO-2021006268-A1 Method for producing insulin-producing cell using dihydroindolizinone derivatives 2019-07-08
CN-114040966-A Method for producing insulin-producing cell using dihydroindolizinone derivative 2019-07-08
US-2020108071-A1 Imidazopyrimidine derivatives 2018-10-03
WO-2020072656-A1 Imidozopyrimidine derivatives 2018-10-03
EP-3860717-A1 Imidozopyrimidine derivatives 2018-10-03
US-11179397-B2 Imidazopyrimidine derivatives 2018-10-03
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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