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Home > Fluorides > 116584-43-1
116584-43-1 | Isoxazole, 5-(trifluoromethyl)-
CAS No: 116584-43-1 Catalog No: AG000CTL MDL No:MFCD00674004
Product Description
Catalog Number:
AG000CTL
Chemical Name:
Isoxazole, 5-(trifluoromethyl)-
CAS Number:
116584-43-1
Molecular Formula:
C4H2F3NO
Molecular Weight:
137.0600
MDL Number:
MFCD00674004
IUPAC Name:
5-(trifluoromethyl)-1,2-oxazole
InChI:
InChI=1S/C4H2F3NO/c5-4(6,7)3-1-2-8-9-3/h1-2H
InChI Key:
RRDBQTDHQONBBG-UHFFFAOYSA-N
SMILES:
FC(c1ccno1)(F)F
Properties
Complexity:
103
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.009g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
137.061g/mol
Monoisotopic Mass:
137.009g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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