Home Other Building Blocks 3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]propanoic acid

3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]propanoic acid

CAS No.:
1178153-34-8
Catalog Number:
AG01BYMH
Molecular Formula:
C6H6F2N2O3
Molecular Weight:
192.1202
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Product Description
Catalog Number:
AG01BYMH
Chemical Name:
3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]propanoic acid
CAS Number:
1178153-34-8
Molecular Formula:
C6H6F2N2O3
Molecular Weight:
192.1202
MDL Number:
MFCD12804748
IUPAC Name:
3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]propanoic acid
InChI:
InChI=1S/C6H6F2N2O3/c7-5(8)6-10-9-3(13-6)1-2-4(11)12/h5H,1-2H2,(H,11,12)
InChI Key:
KOBXYOAENUITRX-UHFFFAOYSA-N
SMILES:
FC(c1nnc(o1)CCC(=O)O)F
Properties
Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.035g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
192.122g/mol
Monoisotopic Mass:
192.035g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties