Home Carboxys Ethyl-3-phenyl pyrazole-4-carboxylate

Ethyl-3-phenyl pyrazole-4-carboxylate

CAS No.:
181867-24-3
Catalog Number:
AG00235B
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$180
- +
Product Description
Catalog Number:
AG00235B
Chemical Name:
Ethyl-3-phenyl pyrazole-4-carboxylate
CAS Number:
181867-24-3
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
MDL Number:
MFCD00228627
IUPAC Name:
ethyl 5-phenyl-1H-pyrazole-4-carboxylate
InChI:
InChI=1S/C12H12N2O2/c1-2-16-12(15)10-8-13-14-11(10)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,13,14)
InChI Key:
LQIYWOVORITWEA-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c[nH]nc1c1ccccc1
NSC Number:
115005
Properties
Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.09g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
216.24g/mol
Monoisotopic Mass:
216.09g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties