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5-(5-Chloro-thiophen-2-yl)-2H-pyrazole-3-carboxylic acid

CAS No.:
1188375-25-8
Catalog Number:
AG01DUC5
Molecular Formula:
C8H5ClN2O2S
Molecular Weight:
228.6555
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Product Description
Catalog Number:
AG01DUC5
Chemical Name:
5-(5-Chloro-thiophen-2-yl)-2H-pyrazole-3-carboxylic acid
CAS Number:
1188375-25-8
Molecular Formula:
C8H5ClN2O2S
Molecular Weight:
228.6555
MDL Number:
MFCD03030192
IUPAC Name:
5-(5-chlorothiophen-2-yl)-1H-pyrazole-3-carboxylic acid
InChI:
InChI=1S/C8H5ClN2O2S/c9-7-2-1-6(14-7)4-3-5(8(12)13)11-10-4/h1-3H,(H,10,11)(H,12,13)
InChI Key:
GYIXQBMJJZNZJW-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc([nH]n1)c1ccc(s1)Cl
Properties
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.976g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
228.65g/mol
Monoisotopic Mass:
227.976g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
94.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties