Home Halogens 1H-Pyrazole-4-carboxylic acid, 1-(4-chlorophenyl)-5-propyl-, ethyl ester

1H-Pyrazole-4-carboxylic acid, 1-(4-chlorophenyl)-5-propyl-, ethyl ester

CAS No.:
175137-16-3
Catalog Number:
AG0020B5
Molecular Formula:
C15H17ClN2O2
Molecular Weight:
292.7607
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$137
- +
5g
1 week
United States
$225
- +
Product Description
Catalog Number:
AG0020B5
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 1-(4-chlorophenyl)-5-propyl-, ethyl ester
CAS Number:
175137-16-3
Molecular Formula:
C15H17ClN2O2
Molecular Weight:
292.7607
MDL Number:
MFCD00173856
IUPAC Name:
ethyl 1-(4-chlorophenyl)-5-propylpyrazole-4-carboxylate
InChI:
InChI=1S/C15H17ClN2O2/c1-3-5-14-13(15(19)20-4-2)10-17-18(14)12-8-6-11(16)7-9-12/h6-10H,3-5H2,1-2H3
InChI Key:
FHEOHDCVJDCEKF-UHFFFAOYSA-N
SMILES:
CCCc1c(cnn1c1ccc(cc1)Cl)C(=O)OCC
Properties
Complexity:
319  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.098g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.763g/mol
Monoisotopic Mass:
292.098g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Properties