2,3,5-Trichlorophenylboronic Acid - CAS 212779-19-6

Catalog:	BB016745
Product Name:	2,3,5-Trichlorophenylboronic Acid
CAS:	212779-19-6
Synonyms:	(2,3,5-trichlorophenyl)boronic acid; (2,3,5-trichlorophenyl)boronic acid

Technical Data

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Computed Properties

IUPAC Name:	(2,3,5-trichlorophenyl)boronic acid
Description:	2,3,5-Trichlorophenylboronic Acid (CAS# 212779-19-6) is a useful research chemical.
Molecular Weight:	225.26
Molecular Formula:	C6H4Cl3O2B
Canonical SMILES:	B(C1=CC(=CC(=C1Cl)Cl)Cl)(O)O
InChI:	InChI=1S/C6H4BCl3O2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,11-12H
InChI Key:	OPBCCRZCYTUJMS-UHFFFAOYSA-N
Boiling Point:	383.4 °C at 760 mmHg
Density:	1.6 g/cm³
MDL:	MFCD01630856
LogP:	1.32660

Publication Number	Title	Priority Date
CN-112574224-A	KRAS G12C inhibitor and application thereof	20190930
WO-2021063346-A1	Kras g12c inhibitor and application thereof	20190930
AU-2015268961-A1	MTH1 inhibitors for treatment of cancer	20140604
AU-2015268961-B2	MTH1 inhibitors for treatment of cancer	20140604
AU-2015268961-B9	MTH1 inhibitors for treatment of cancer	20140604

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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:	158
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	223.936993
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	223.936993
Rotatable Bond Count:	1
Topological Polar Surface Area:	40.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0