Potassium Trifluoro(3-oxetanyl)borate - CAS 1430219-76-3

Catalog:	BB009488
Product Name:	Potassium Trifluoro(3-oxetanyl)borate
CAS:	1430219-76-3
Synonyms:	potassium;trifluoro(3-oxetanyl)boranuide; potassium;trifluoro(oxetan-3-yl)boranuide

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Computed Properties

IUPAC Name:	potassium;trifluoro(oxetan-3-yl)boranuide
Description:	Potassium Trifluoro(3-oxetanyl)borate (CAS# 1430219-76-3) is a useful research chemical.
Molecular Weight:	163.98
Molecular Formula:	C3H5F3OBK
Canonical SMILES:	[B-](C1COC1)(F)(F)F.[K+]
InChI:	InChI=1S/C3H5BF3O.K/c5-4(6,7)3-1-8-2-3;/h3H,1-2H2;/q-1;+1
InChI Key:	AONUDQUWROSMQI-UHFFFAOYSA-N
LogP:	1.23420

Publication Number	Title	Priority Date
WO-2020123395-A1	2-oxoquinazoline derivatives as methionine adenosyltransferase 2a inhibitors	20181210
TW-202039487-A	2-oxoquinazoline derivatives as methionine adenosyltransferase 2a inhibitors	20181210
CN-113166078-A	2-oxoquinazoline derivatives as methionine adenosyltransferase 2A inhibitors	20181210
EP-3894396-A1	2-oxoquinazoline derivatives as methionine adenosyltransferase 2a inhibitors	20181210
KR-20210103498-A	2-oxoquinazoline derivatives as methionine adenosyltransferase 2A inhibitors	20181210

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	91.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	164.0022609
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	164.0022609
Rotatable Bond Count:	0
Topological Polar Surface Area:	9.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0