Home Carboxys ethyl 1-(2-fluoroethyl)-1H-pyrazole-5-carboxylate

ethyl 1-(2-fluoroethyl)-1H-pyrazole-5-carboxylate

CAS No.:
1198437-41-0
Catalog Number:
AG01EIM2
Molecular Formula:
C8H11FN2O2
Molecular Weight:
186.1835
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Product Description
Catalog Number:
AG01EIM2
Chemical Name:
ethyl 1-(2-fluoroethyl)-1H-pyrazole-5-carboxylate
CAS Number:
1198437-41-0
Molecular Formula:
C8H11FN2O2
Molecular Weight:
186.1835
MDL Number:
MFCD31615896
IUPAC Name:
ethyl 2-(2-fluoroethyl)pyrazole-3-carboxylate
InChI:
InChI=1S/C8H11FN2O2/c1-2-13-8(12)7-3-5-10-11(7)6-4-9/h3,5H,2,4,6H2,1H3
InChI Key:
ZUEHOVNCJIAWBW-UHFFFAOYSA-N
SMILES:
FCCn1nccc1C(=O)OCC
Properties
Complexity:
178  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.08g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.186g/mol
Monoisotopic Mass:
186.08g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties