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1-(4-Chlorophenyl)pyrazole-4-carboxylic Acid

1-(4-Chlorophenyl)pyrazole-4-carboxylic Acid - CAS 138907-80-9

Catalog:	BB008865
Product Name:	1-(4-Chlorophenyl)pyrazole-4-carboxylic Acid
CAS:	138907-80-9
Synonyms:	1-(4-chlorophenyl)-4-pyrazolecarboxylic acid; 1-(4-chlorophenyl)pyrazole-4-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	1-(4-chlorophenyl)pyrazole-4-carboxylic acid
Description:	1-(4-Chlorophenyl)pyrazole-4-carboxylic Acid (CAS# 138907-80-9) is a useful research chemical.
Molecular Weight:	222.63
Molecular Formula:	C10H7ClN2O2
Canonical SMILES:	C1=CC(=CC=C1N2C=C(C=N2)C(=O)O)Cl
InChI:	InChI=1S/C10H7ClN2O2/c11-8-1-3-9(4-2-8)13-6-7(5-12-13)10(14)15/h1-6H,(H,14,15)
InChI Key:	PBSAOBJMSYDULI-UHFFFAOYSA-N
MDL:	MFCD09936018
LogP:	2.22390

Publication Number	Title	Priority Date
PT-108882-A	Lighting device with adjustable white light based on nanoestrutures of zirconia	20151013
JP-2015096499-A	Pharmaceutical composition	20131011
AU-2013247671-A1	Amidopyridine derivative, and use thereof	20120413
EP-2837627-A1	Amidopyridine derivative, and use thereof	20120413
EP-2837627-B1	Amidopyridine derivative, and use thereof	20120413

PMID	Publication Date	Title	Journal
11294382	20010409	Synthesis and structure-activity relationships of 1-phenylpyrazoles as xanthine oxidase inhibitors	Bioorganic & medicinal chemistry letters

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Related Functional Groups

Carbonyl Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]
Undecanoyl chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]
1-(2-Cyanophenyl)urea

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

Complexity:	242
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	222.0196052
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	222.0196052
Rotatable Bond Count:	2
Topological Polar Surface Area:	55.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2