Home Carboxys Ethyl 4-phenyl-1H-pyrazole-3-carboxylate

Ethyl 4-phenyl-1H-pyrazole-3-carboxylate

CAS No.:
6963-62-8
Catalog Number:
AG0069JS
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
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Product Description
Catalog Number:
AG0069JS
Chemical Name:
Ethyl 4-phenyl-1H-pyrazole-3-carboxylate
CAS Number:
6963-62-8
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
MDL Number:
MFCD01927509
IUPAC Name:
ethyl 4-phenyl-1H-pyrazole-5-carboxylate
InChI:
InChI=1S/C12H12N2O2/c1-2-16-12(15)11-10(8-13-14-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,13,14)
InChI Key:
BQUUXGPEWAUSLS-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1n[nH]cc1c1ccccc1
NSC Number:
55495
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:
2.4  
Properties