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Home > Fluorides > 1402664-87-2
1402664-87-2 | 1,2,4-Oxadiazole, 3-(3-pyrrolidinyl)-5-(trifluoromethyl)-
CAS No: 1402664-87-2 Catalog No: AG001C81 MDL No:MFCD28098122
Product Description
Catalog Number:
AG001C81
Chemical Name:
1,2,4-Oxadiazole, 3-(3-pyrrolidinyl)-5-(trifluoromethyl)-
CAS Number:
1402664-87-2
Molecular Formula:
C7H8F3N3O
Molecular Weight:
207.1531
MDL Number:
MFCD28098122
IUPAC Name:
3-pyrrolidin-3-yl-5-(trifluoromethyl)-1,2,4-oxadiazole
InChI:
InChI=1S/C7H8F3N3O/c8-7(9,10)6-12-5(13-14-6)4-1-2-11-3-4/h4,11H,1-3H2
InChI Key:
AJSCIRGSDMDARP-UHFFFAOYSA-N
SMILES:
FC(c1onc(n1)C1CNCC1)(F)F
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.062g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.156g/mol
Monoisotopic Mass:
207.062g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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