Home Other Building Blocks methyl 2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetate

methyl 2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetate

CAS No.:
1803600-75-0
Catalog Number:
AG01AGDC
Molecular Formula:
C6H5F3N2O3
Molecular Weight:
210.1107
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Product Description
Catalog Number:
AG01AGDC
Chemical Name:
methyl 2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetate
CAS Number:
1803600-75-0
Molecular Formula:
C6H5F3N2O3
Molecular Weight:
210.1107
MDL Number:
MFCD28023705
IUPAC Name:
methyl 2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetate
InChI:
InChI=1S/C6H5F3N2O3/c1-13-4(12)2-3-10-11-5(14-3)6(7,8)9/h2H2,1H3
InChI Key:
MVRIEFLVQBCSLU-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1nnc(o1)C(F)(F)F
Properties
Complexity:
221  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.025g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.112g/mol
Monoisotopic Mass:
210.025g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties