Home Carboxys rac-methyl (2R,5S)-5-[4-(trifluoromethyl)phenyl]oxolane-2-carboxylate, cis

rac-methyl (2R,5S)-5-[4-(trifluoromethyl)phenyl]oxolane-2-carboxylate, cis

CAS No.:
2044705-95-3
Catalog Number:
AG01BVC2
Molecular Formula:
C13H13F3O3
Molecular Weight:
274.2357
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Product Description
Catalog Number:
AG01BVC2
Chemical Name:
rac-methyl (2R,5S)-5-[4-(trifluoromethyl)phenyl]oxolane-2-carboxylate, cis
CAS Number:
2044705-95-3
Molecular Formula:
C13H13F3O3
Molecular Weight:
274.2357
MDL Number:
MFCD29033858
IUPAC Name:
methyl (2S,5R)-5-[4-(trifluoromethyl)phenyl]oxolane-2-carboxylate
InChI:
InChI=1S/C13H13F3O3/c1-18-12(17)11-7-6-10(19-11)8-2-4-9(5-3-8)13(14,15)16/h2-5,10-11H,6-7H2,1H3/t10-,11+/m1/s1
InChI Key:
MJPNDBIPJQNUCT-MNOVXSKESA-N
SMILES:
COC(=O)[C@@H]1CC[C@@H](O1)c1ccc(cc1)C(F)(F)F
Properties
Complexity:
322  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
274.082g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.239g/mol
Monoisotopic Mass:
274.082g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties