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Home > Fluorides > 159152-82-6
159152-82-6 | 3,4,5,6,6a,7-hexahydro-7-hydroxy-7-(trifluoromethyl)benz-[c]-isoxazole
CAS No: 159152-82-6 Catalog No: AG01F2B7 MDL No:MFCD04116485
Product Description
Catalog Number:
AG01F2B7
Chemical Name:
3,4,5,6,6a,7-hexahydro-7-hydroxy-7-(trifluoromethyl)benz-[c]-isoxazole
CAS Number:
159152-82-6
Molecular Formula:
C8H10F3NO2
Molecular Weight:
209.1657
MDL Number:
MFCD04116485
IUPAC Name:
3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-2,1-benzoxazol-3-ol
InChI:
InChI=1S/C8H10F3NO2/c9-8(10,11)7(13)5-3-1-2-4-6(5)12-14-7/h5,13H,1-4H2
InChI Key:
JQNKEFXTOKUFER-UHFFFAOYSA-N
SMILES:
OC1(ON=C2C1CCCC2)C(F)(F)F
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.066g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.168g/mol
Monoisotopic Mass:
209.066g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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