Home Carboxys methyl 2-(trifluoromethyl)-1,3-oxazole-5-carboxylate

methyl 2-(trifluoromethyl)-1,3-oxazole-5-carboxylate

CAS No.:
1803603-75-9
Catalog Number:
AG01B988
Molecular Formula:
C6H4F3NO3
Molecular Weight:
195.0961
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Product Description
Catalog Number:
AG01B988
Chemical Name:
methyl 2-(trifluoromethyl)-1,3-oxazole-5-carboxylate
CAS Number:
1803603-75-9
Molecular Formula:
C6H4F3NO3
Molecular Weight:
195.0961
MDL Number:
MFCD28348286
IUPAC Name:
methyl 2-(trifluoromethyl)-1,3-oxazole-5-carboxylate
InChI:
InChI=1S/C6H4F3NO3/c1-12-4(11)3-2-10-5(13-3)6(7,8)9/h2H,1H3
InChI Key:
MABXXVJGKJMSSA-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnc(o1)C(F)(F)F
Properties
Complexity:
206  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.014g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.097g/mol
Monoisotopic Mass:
195.014g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties