Home Carboxys 1-(2-Chloroethyl)-1H-pyrazole-4-carboxylic acid

1-(2-Chloroethyl)-1H-pyrazole-4-carboxylic acid

CAS No.:
1011404-53-7
Catalog Number:
AG00JAOX
Molecular Formula:
C6H7ClN2O2
Molecular Weight:
174.5850
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Product Description
Catalog Number:
AG00JAOX
Chemical Name:
1-(2-Chloroethyl)-1H-pyrazole-4-carboxylic acid
CAS Number:
1011404-53-7
Molecular Formula:
C6H7ClN2O2
Molecular Weight:
174.5850
MDL Number:
MFCD09028389
IUPAC Name:
1-(2-chloroethyl)pyrazole-4-carboxylic acid
InChI:
InChI=1S/C6H7ClN2O2/c7-1-2-9-4-5(3-8-9)6(10)11/h3-4H,1-2H2,(H,10,11)
InChI Key:
WEYQTKWTPPRMNL-UHFFFAOYSA-N
SMILES:
OC(=O)c1cn(nc1)CCCl
Properties
Complexity:
154  
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:
3  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties