200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 479499-03-1
479499-03-1 | 3-(e)-benzylidene-3,4,5,6,6a,7-hexahydro-7-hydroxy-7-(trifluoromethyl)benz-[c]-isoxazole
CAS No: 479499-03-1 Catalog No: AG01EW4B MDL No:
Product Description
Catalog Number:
AG01EW4B
Chemical Name:
3-(e)-benzylidene-3,4,5,6,6a,7-hexahydro-7-hydroxy-7-(trifluoromethyl)benz-[c]-isoxazole
CAS Number:
479499-03-1
Molecular Formula:
C15H14F3NO2
Molecular Weight:
297.2724
IUPAC Name:
(7E)-7-benzylidene-3-(trifluoromethyl)-3a,4,5,6-tetrahydro-2,1-benzoxazol-3-ol
InChI:
InChI=1S/C15H14F3NO2/c16-15(17,18)14(20)12-8-4-7-11(13(12)19-21-14)9-10-5-2-1-3-6-10/h1-3,5-6,9,12,20H,4,7-8H2/b11-9+
InChI Key:
RHOOTQAOZKPADG-PKNBQFBNSA-N
SMILES:
FC(C1(O)ON=C2C1CCC/C/2=C\c1ccccc1)(F)F
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
297.098g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.277g/mol
Monoisotopic Mass:
297.098g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Related Products
© 2019 Angene International Limited. All rights Reserved.