2-Carbamoylphenylboronic Acid - CAS 380430-54-6

Catalog:	BB023509
Product Name:	2-Carbamoylphenylboronic Acid
CAS:	380430-54-6
Synonyms:	(2-carbamoylphenyl)boronic acid; (2-carbamoylphenyl)boronic acid

Technical Data

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Computed Properties

IUPAC Name:	(2-carbamoylphenyl)boronic acid
Description:	2-Aminocarbonylphenylboronic acid acts as a reagent in the preparation of RIPK2 inhibitors for the treatment of inflammatory diseases.
Molecular Weight:	164.95
Molecular Formula:	C7H8NO3B
Canonical SMILES:	B(C1=CC=CC=C1C(=O)N)(O)O
InChI:	InChI=1S/C7H8BNO3/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4,11-12H,(H2,9,10)
InChI Key:	LBWJTKOVBMVJJX-UHFFFAOYSA-N
Boiling Point:	410.3 °C at 760 mmHg
Flash Point:	Not applicable
Density:	1.32 g/cm³
Appearance:	White to off white solid
LogP:	-0.83440

Publication Number	Title	Priority Date
WO-2021113263-A1	Crf receptor antagonists and methods of use	20191204
JP-2021007389-A	4-Amino Antipyrin-Containing Subcomposition for Saccharified Protein Measuring Reagent Containing Stabilizer, Saccharified Protein Measuring Reagent, Saccharified Protein Measuring Method, Stabilizing 4-Amino Antipyrin-Containing Subcomposition for Saccharified Protein Measuring Reagent , And a method for preserving 4-aminoantipyrine-containing partial compositions for glycated protein measurement reagents.	20190701
US-2019374542-A1	Kras g12c inhibitors and methods of using the same	20180612
US-2020003773-A1	Optical detection of biological components	20180405
AU-2018283053-A1	Imidazole-containing inhibitors of ALK2 kinase	20170615

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GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	174
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	165.0597233
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	165.0597233
Rotatable Bond Count:	2
Topological Polar Surface Area:	83.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0