Home Carboxys ethyl 5-(trifluoromethyl)isoxazole-4-carboxylate

ethyl 5-(trifluoromethyl)isoxazole-4-carboxylate

CAS No.:
1341552-49-5
Catalog Number:
AG00AAK8
Molecular Formula:
C7H6F3NO3
Molecular Weight:
209.1226
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Product Description
Catalog Number:
AG00AAK8
Chemical Name:
ethyl 5-(trifluoromethyl)isoxazole-4-carboxylate
CAS Number:
1341552-49-5
Molecular Formula:
C7H6F3NO3
Molecular Weight:
209.1226
MDL Number:
MFCD18299862
IUPAC Name:
ethyl 5-(trifluoromethyl)-1,2-oxazole-4-carboxylate
InChI:
InChI=1S/C7H6F3NO3/c1-2-13-6(12)4-3-11-14-5(4)7(8,9)10/h3H,2H2,1H3
InChI Key:
VQXLITGNNDFCMM-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnoc1C(F)(F)F
Properties
Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.03g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.124g/mol
Monoisotopic Mass:
209.03g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties