(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
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 |
