3-Chloro-4-(hydroxymethyl)phenylboronic Acid - CAS 1190875-60-5

Name: 3-Chloro-4-(hydroxymethyl)phenylboronic Acid
Brand: BOC Sciences
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Catalog:	BB004405
Product Name:	3-Chloro-4-(hydroxymethyl)phenylboronic Acid
CAS:	1190875-60-5
Synonyms:	[3-chloro-4-(hydroxymethyl)phenyl]boronic acid; [3-chloro-4-(hydroxymethyl)phenyl]boronic acid

Technical Data

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Computed Properties

IUPAC Name:	[3-chloro-4-(hydroxymethyl)phenyl]boronic acid
Description:	3-Chloro-4-(hydroxymethyl)phenylboronic Acid (CAS# 1190875-60-5) is a useful research chemical.
Molecular Weight:	186.40
Molecular Formula:	C7H8ClO3B
Canonical SMILES:	B(C1=CC(=C(C=C1)CO)Cl)(O)O
InChI:	InChI=1S/C7H8BClO3/c9-7-3-6(8(11)12)2-1-5(7)4-10/h1-3,10-12H,4H2
InChI Key:	GPDIABAAAASRGZ-UHFFFAOYSA-N
LogP:	-0.48790

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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

Publication Number	Title	Priority Date
US-2019308950-A1	Substituted pyridine and pyrimidines and their use as glun2b receptor modulators	20180404
WO-2019193516-A2	Substituted pyridine and pyrimidines and their use as glun2b receptor modulators	20180404
EP-3774732-A2	Substituted pyridine and pyrimidines and their use as glun2b receptor modulators	20180404
JP-2021520381-A	Substituted pyridines and pyrimidines and their use as GLUN2B receptor regulators	20180404
US-11008302-B2	Substituted pyridine and pyrimidines and their use as GluN2B receptor modulators	20180404

Complexity:	145
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	186.0255020
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	186.0255020
Rotatable Bond Count:	2
Topological Polar Surface Area:	60.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0