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

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

CAS No.:
885-94-9
Catalog Number:
AG008BAU
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
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Product Description
Catalog Number:
AG008BAU
Chemical Name:
Ethyl 1-phenyl-1H-pyrazole-4-carboxylate
CAS Number:
885-94-9
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
MDL Number:
MFCD00973358
IUPAC Name:
ethyl 1-phenylpyrazole-4-carboxylate
InChI:
InChI=1S/C12H12N2O2/c1-2-16-12(15)10-8-13-14(9-10)11-6-4-3-5-7-11/h3-9H,2H2,1H3
InChI Key:
UBIULDHICQCHJE-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnn(c1)c1ccccc1
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:
0
Isotope Atom Count:
0
Molecular Weight:
216.24g/mol
Monoisotopic Mass:
216.09g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties