Home Halogens 4-chloro-3-ethyl-1H-pyrazole-5-carboxylic acid

4-chloro-3-ethyl-1H-pyrazole-5-carboxylic acid

CAS No.:
158668-22-5
Catalog Number:
AG01A3R9
Molecular Formula:
C6H7ClN2O2
Molecular Weight:
174.5850
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Product Description
Catalog Number:
AG01A3R9
Chemical Name:
4-chloro-3-ethyl-1H-pyrazole-5-carboxylic acid
CAS Number:
158668-22-5
Molecular Formula:
C6H7ClN2O2
Molecular Weight:
174.5850
MDL Number:
MFCD17193928
IUPAC Name:
4-chloro-5-ethyl-1H-pyrazole-3-carboxylic acid
InChI:
InChI=1S/C6H7ClN2O2/c1-2-3-4(7)5(6(10)11)9-8-3/h2H2,1H3,(H,8,9)(H,10,11)
InChI Key:
MXDRWALJNSNSOQ-UHFFFAOYSA-N
SMILES:
CCc1[nH]nc(c1Cl)C(=O)O
Properties
Complexity:
165  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.02g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
174.584g/mol
Monoisotopic Mass:
174.02g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties