5-Chloropyrazole-3-carboxylic Acid - CAS 881668-70-8

Catalog:	BB038757
Product Name:	5-Chloropyrazole-3-carboxylic Acid
CAS:	881668-70-8
Synonyms:	5-chloro-1H-pyrazole-3-carboxylic acid; 5-chloro-1H-pyrazole-3-carboxylic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	5-chloro-1H-pyrazole-3-carboxylic acid
Description:	5-Chloropyrazole-3-carboxylic Acid (CAS# 881668-70-8) is a useful research chemical.
Molecular Weight:	146.53
Molecular Formula:	C4H3ClN2O2
Canonical SMILES:	C1=C(NN=C1C(=O)O)Cl
InChI:	InChI=1S/C4H3ClN2O2/c5-3-1-2(4(8)9)6-7-3/h1H,(H,6,7)(H,8,9)
InChI Key:	MOTPCOWWOZSEHC-UHFFFAOYSA-N
Boiling Point:	445.622 °C at 760 mmHg
Density:	1.715 g/cm³
Appearance:	Solid
LogP:	0.76130

Publication Number	Title	Priority Date
WO-2021185256-A1	Substituted pyrimidine or pyridine amine derivative, composition thereof, and medical use thereof	20200316
WO-2020150265-A1	Prodrugs of alox-15 inhibitors and methods of using the same	20190115
US-2021030772-A1	Prodrugs of alox-15 inhibitors and methods of using the same	20190115
US-11116778-B2	Prodrugs of ALOX-15 inhibitors and methods of using the same	20190115
CN-110003111-A	A kind of preparation method of 2- aryl -3- ether -3- pyrazoles acrylonitrile compound	20180104

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Complexity:	130
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	145.988305
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	145.988305
Rotatable Bond Count:	1
Topological Polar Surface Area:	66
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1