2-Chloro-4-nitrophenylboronic acid - CAS 1436612-57-5

Catalog:	BB062456
Product Name:	2-Chloro-4-nitrophenylboronic acid
CAS:	1436612-57-5
Synonyms:	B-(2-Chloro-4-nitrophenyl)boronic Acid

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Computed Properties

IUPAC Name:	(2-chloro-4-nitrophenyl)boronic acid
Description:	2-Chloro-4-nitrophenylboronic Acid is a useful research chemical for organic synthesis and other chemical processes.
Molecular Weight:	201.37
Molecular Formula:	C6H5BClNO4
Canonical SMILES:	B(C1=C(C=C(C=C1)[N+](=O)[O-])Cl)(O)O
InChI:	InChI=1S/C6H5BClNO4/c8-6-3-4(9(12)13)1-2-5(6)7(10)11/h1-3,10-11H
InChI Key:	UQGPTZONRAXNDF-UHFFFAOYSA-N
References:	Kamble, R. B., et al. New J. Chem., 43, 1632 (2019); Bommegowda, Y. K., et al. Chem. Lett., 45, 268 (2016).

Publication Number	Title	Priority Date
CA-3022395-A1	Di-substituted pyrazole compounds for the treatment of diseases	20160429
EP-3448851-A1	Di-substituted pyrazole compounds for the treatment of diseases	20160429
US-2019134017-A1	Di-substituted pyrazole compounds for the treatment of diseases	20160429
WO-2017190086-A1	Di-substituted pyrazole compounds for the treatment of diseases	20160429
AU-2017258781-B2	Di-substituted pyrazole compounds for the treatment of diseases	20160429
CN-109476635-B	Disubstituted pyrazoles for treatment of diseases	20160429
AU-2017258781-C1	Di-substituted pyrazole compounds for the treatment of diseases	20160429
AU-2013337370-A1	Cyclic sulfonamide containing derivatives as inhibitors of hedgehog signaling pathway	20121105
AU-2013337370-B2	Cyclic sulfonamide containing derivatives as inhibitors of hedgehog signaling pathway	20121105
CA-2890002-A1	Cyclic sulfonamide containing derivatives as inhibitors of hedgehog signaling pathway	20121105

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	198
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	201.0000155
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	201.0000155
Rotatable Bond Count:	1
Topological Polar Surface Area:	86.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0