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Home > Fluorides > 1257664-99-5
1257664-99-5 | 2H-Pyran, tetrahydro-4-[3-(trifluoromethyl)phenoxy]-
CAS No: 1257664-99-5 Catalog No: AG000OOC MDL No:MFCD18087717
Product Description
Catalog Number:
AG000OOC
Chemical Name:
2H-Pyran, tetrahydro-4-[3-(trifluoromethyl)phenoxy]-
CAS Number:
1257664-99-5
Molecular Formula:
C12H13F3O2
Molecular Weight:
246.2256
MDL Number:
MFCD18087717
IUPAC Name:
4-[3-(trifluoromethyl)phenoxy]oxane
InChI:
InChI=1S/C12H13F3O2/c13-12(14,15)9-2-1-3-11(8-9)17-10-4-6-16-7-5-10/h1-3,8,10H,4-7H2
InChI Key:
DGOYASNJAXWLCO-UHFFFAOYSA-N
SMILES:
FC(c1cccc(c1)OC1CCOCC1)(F)F
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.087g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.229g/mol
Monoisotopic Mass:
246.087g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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