2-Chloro-5-nitrophenylboronic Acid - CAS 867333-29-7

Catalog:	BB038053
Product Name:	2-Chloro-5-nitrophenylboronic Acid
CAS:	867333-29-7
Synonyms:	(2-chloro-5-nitrophenyl)boronic acid; (2-chloro-5-nitrophenyl)boronic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	(2-chloro-5-nitrophenyl)boronic acid
Description:	2-Chloro-5-nitrophenylboronic Acid (CAS# 867333-29-7) is a useful research chemical.
Molecular Weight:	201.37
Molecular Formula:	C6H5ClNO4B
Canonical SMILES:	B(C1=C(C=CC(=C1)[N+](=O)[O-])Cl)(O)O
InChI:	InChI=1S/C6H5BClNO4/c8-6-2-1-4(9(12)13)3-5(6)7(10)11/h1-3,10-11H
InChI Key:	KNFHCUNPMBSLRK-UHFFFAOYSA-N
Boiling Point:	392.9 °C at 760 mmHg
Density:	1.54 g/cm³
Appearance:	White solid
MDL:	MFCD03095323
LogP:	0.45120

Publication Number	Title	Priority Date
WO-2020177629-A1	Spiro-substituted pyrimidine-fused cyclic compound, preparation method therefor and medical use thereof	20190301
CN-107922609-A	Delivery system based on cation glactaric acid polymer	20150701
US-2018111916-A1	Stk4 inhibitors for treatment of hematologic malignancies	20150331
WO-2016161145-A1	Stk4 inhibitors for treatment of hematologic malignancies	20150331
US-10710978-B2	STK4 inhibitors for treatment of hematologic malignancies	20150331

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Related Functional Groups

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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:	86.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0