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

(2,2-difluoro-2H-1,3-benzodioxol-5-yl)boronic acid - CAS 190903-71-0

Catalog:	BB014759
Product Name:	(2,2-difluoro-2H-1,3-benzodioxol-5-yl)boronic acid
CAS:	190903-71-0
Synonyms:	(2,2-difluoro-1,3-benzodioxol-5-yl)boronic acid; (2,2-difluoro-1,3-benzodioxol-5-yl)boronic acid

Technical Data

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Computed Properties

IUPAC Name:	(2,2-difluoro-1,3-benzodioxol-5-yl)boronic acid
Description:	(2,2-difluoro-2H-1,3-benzodioxol-5-yl)boronic acid (CAS# 190903-71-0) is a useful research chemical.
Molecular Weight:	201.92
Molecular Formula:	C7H5BF2O4
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

Publication Number	Title	Priority Date
CN-113072542-A	ROR gamma t inhibitor and preparation method and application thereof	20200106
WO-2021139595-A1	RORÎ³T INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF	20200106
WO-2021074281-A1	Substituted azacyles as trmp8 modulators	20191017
WO-2021006268-A1	Method for producing insulin-producing cell using dihydroindolizinone derivatives	20190708
US-2020108071-A1	Imidazopyrimidine derivatives	20181003

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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

Complexity:	226
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	202.0248951
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	202.0248951
Rotatable Bond Count:	1
Topological Polar Surface Area:	58.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0