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1-(pyridin-3-yl)-1H-pyrazole-4-carboxylic acid hydrochloride

CAS No.:
1394040-13-1
Catalog Number:
AG019ZRS
Molecular Formula:
C9H8ClN3O2
Molecular Weight:
225.6317
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Product Description
Catalog Number:
AG019ZRS
Chemical Name:
1-(pyridin-3-yl)-1H-pyrazole-4-carboxylic acid hydrochloride
CAS Number:
1394040-13-1
Molecular Formula:
C9H8ClN3O2
Molecular Weight:
225.6317
MDL Number:
MFCD22375322
IUPAC Name:
1-pyridin-3-ylpyrazole-4-carboxylic acid;hydrochloride
InChI:
InChI=1S/C9H7N3O2.ClH/c13-9(14)7-4-11-12(6-7)8-2-1-3-10-5-8;/h1-6H,(H,13,14);1H
InChI Key:
FKLMICNLWVBTRT-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnn(c1)c1cccnc1.Cl
Properties
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.031g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
225.632g/mol
Monoisotopic Mass:
225.031g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties