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1820613-91-9

1820613-91-9 | "2-(piperidin-4-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole hydrochloride"

CAS No: 1820613-91-9 Catalog No: AG01FMOF MDL No:MFCD28388519

Product Description

Catalog Number:
AG01FMOF
Chemical Name:
"2-(piperidin-4-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole hydrochloride"
CAS Number:
1820613-91-9
Molecular Formula:
C8H11ClF3N3O
Molecular Weight:
257.6406
MDL Number:
MFCD28388519
IUPAC Name:
2-piperidin-4-yl-5-(trifluoromethyl)-1,3,4-oxadiazole;hydrochloride
InChI:
InChI=1S/C8H10F3N3O.ClH/c9-8(10,11)7-14-13-6(15-7)5-1-3-12-4-2-5;/h5,12H,1-4H2;1H
InChI Key:
UEAZOGIVWQFJTF-UHFFFAOYSA-N
SMILES:
FC(c1nnc(o1)C1CCNCC1)(F)F.Cl

Properties

Complexity:
218  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.054g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
257.641g/mol
Monoisotopic Mass:
257.054g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
51A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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