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

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

CAS No.:
1373611-91-6
Catalog Number:
AG01BV63
Molecular Formula:
C6H7ClN2O2
Molecular Weight:
174.5850
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Product Description
Catalog Number:
AG01BV63
Chemical Name:
5-chloro-3-ethyl-1H-pyrazole-4-carboxylic acid
CAS Number:
1373611-91-6
Molecular Formula:
C6H7ClN2O2
Molecular Weight:
174.5850
MDL Number:
MFCD22066582
IUPAC Name:
3-chloro-5-ethyl-1H-pyrazole-4-carboxylic acid
InChI:
InChI=1S/C6H7ClN2O2/c1-2-3-4(6(10)11)5(7)9-8-3/h2H2,1H3,(H,8,9)(H,10,11)
InChI Key:
SIMOVTFGQWYFFT-UHFFFAOYSA-N
SMILES:
CCc1n[nH]c(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:
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