2-(tert-Butylsulfamoyl)phenylboronic Acid - CAS 150691-04-6

Catalog:	BB010562
Product Name:	2-(tert-Butylsulfamoyl)phenylboronic Acid
CAS:	150691-04-6
Synonyms:	[2-(tert-butylsulfamoyl)phenyl]boronic acid; [2-(tert-butylsulfamoyl)phenyl]boronic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	[2-(tert-butylsulfamoyl)phenyl]boronic acid
Description:	2-(tert-Butylsulfamoyl)phenylboronic Acid (CAS# 150691-04-6) is a useful research chemical.
Molecular Weight:	257.11
Molecular Formula:	C10H16NO4SB
Canonical SMILES:	B(C1=CC=CC=C1S(=O)(=O)NC(C)(C)C)(O)O
InChI:	InChI=1S/C10H16BNO4S/c1-10(2,3)12-17(15,16)9-7-5-4-6-8(9)11(13)14/h4-7,12-14H,1-3H3
InChI Key:	TUEIURIZJQRMQE-UHFFFAOYSA-N
Boiling Point:	443.2 °C at 760 mmHg
Density:	1.28 g/cm³
Appearance:	White powder
MDL:	MFCD01318943
LogP:	0.91490

Publication Number	Title	Priority Date
WO-2021012049-A1	Substituted 2-morpholinopyridine derivatives as atr kinase inhibitors	20190722
WO-2020087170-A1	Compounds, pharmaceutical compositions, and methods of preparing compounds and of their use as atr kinase inhibitors	20181030
EP-3873905-A1	Compounds, pharmaceutical compositions, and methods of preparing compounds and of their use as atr kinase inhibitors	20181030
KR-20210097124-A	Compounds, pharmaceutical compositions, and methods of making compounds and methods of using them as ATR kinase inhibitors	20181030
US-2021277002-A1	Compounds, pharmaceutical compositions, and methods of preparing compounds and of their use as atr kinase inhibitors	20181030

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Related Functional Groups

Boronic Acids and Esters

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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:	344
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	257.0893093
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	257.0893093
Rotatable Bond Count:	4
Topological Polar Surface Area:	95 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0