Home Carboxys 4-Chloro-1-ethyl-1h-pyrazole-5-carboxylic acid

4-Chloro-1-ethyl-1h-pyrazole-5-carboxylic acid

CAS No.:
400756-39-0
Catalog Number:
AG00C00E
Molecular Formula:
C6H7ClN2O2
Molecular Weight:
174.5850
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$226
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Product Description
Catalog Number:
AG00C00E
Chemical Name:
4-Chloro-1-ethyl-1h-pyrazole-5-carboxylic acid
CAS Number:
400756-39-0
Molecular Formula:
C6H7ClN2O2
Molecular Weight:
174.5850
MDL Number:
MFCD02090839
IUPAC Name:
4-chloro-2-ethylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C6H7ClN2O2/c1-2-9-5(6(10)11)4(7)3-8-9/h3H,2H2,1H3,(H,10,11)
InChI Key:
ZGZXVMWVZJUGBM-UHFFFAOYSA-N
SMILES:
CCn1ncc(c1C(=O)O)Cl
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:
1  
Isotope Atom Count:
0
Molecular Weight:
174.584g/mol
Monoisotopic Mass:
174.02g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties