Home Carboxys Methyl 3-(trifluoroMethyl)-1H-pyrazole-4-carboxylate

Methyl 3-(trifluoroMethyl)-1H-pyrazole-4-carboxylate

CAS No.:
61859-96-9
Catalog Number:
AG00EKKA
Molecular Formula:
C6H5F3N2O2
Molecular Weight:
194.1113
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Product Description
Catalog Number:
AG00EKKA
Chemical Name:
Methyl 3-(trifluoroMethyl)-1H-pyrazole-4-carboxylate
CAS Number:
61859-96-9
Molecular Formula:
C6H5F3N2O2
Molecular Weight:
194.1113
MDL Number:
MFCD13151914
IUPAC Name:
methyl 5-(trifluoromethyl)-1H-pyrazole-4-carboxylate
InChI:
InChI=1S/C6H5F3N2O2/c1-13-5(12)3-2-10-11-4(3)6(7,8)9/h2H,1H3,(H,10,11)
InChI Key:
QWSUIVAZSMPWAO-UHFFFAOYSA-N
SMILES:
COC(=O)c1c[nH]nc1C(F)(F)F
Properties
Complexity:
207  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.03g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
194.113g/mol
Monoisotopic Mass:
194.03g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties