Home Carboxys methyl 2-(trifluoromethyl)-4,5-dihydro-1,3-oxazole-5-carboxylate

methyl 2-(trifluoromethyl)-4,5-dihydro-1,3-oxazole-5-carboxylate

CAS No.:
1798718-32-7
Catalog Number:
AG01BGX5
Molecular Formula:
C6H6F3NO3
Molecular Weight:
197.1119
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Product Description
Catalog Number:
AG01BGX5
Chemical Name:
methyl 2-(trifluoromethyl)-4,5-dihydro-1,3-oxazole-5-carboxylate
CAS Number:
1798718-32-7
Molecular Formula:
C6H6F3NO3
Molecular Weight:
197.1119
MDL Number:
MFCD28125289
IUPAC Name:
methyl 2-(trifluoromethyl)-4,5-dihydro-1,3-oxazole-5-carboxylate
InChI:
InChI=1S/C6H6F3NO3/c1-12-4(11)3-2-10-5(13-3)6(7,8)9/h3H,2H2,1H3
InChI Key:
JMCKKBXRDJWBQY-UHFFFAOYSA-N
SMILES:
COC(=O)C1CN=C(O1)C(F)(F)F
Properties
Complexity:
248  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.03g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.113g/mol
Monoisotopic Mass:
197.03g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties