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287930-75-0 | 3-Morpholinone, 2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-(phenylmethyl)-, (2R)-
CAS No: 287930-75-0 Catalog No: AG002WHV MDL No:MFCD22494935
Product Description
Catalog Number:
AG002WHV
Chemical Name:
3-Morpholinone, 2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-(phenylmethyl)-, (2R)-
CAS Number:
287930-75-0
Molecular Formula:
C21H19F6NO3
Molecular Weight:
447.3709
MDL Number:
MFCD22494935
IUPAC Name:
(2R)-4-benzyl-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]morpholin-3-one
InChI:
InChI=1S/C21H19F6NO3/c1-13(15-9-16(20(22,23)24)11-17(10-15)21(25,26)27)31-19-18(29)28(7-8-30-19)12-14-5-3-2-4-6-14/h2-6,9-11,13,19H,7-8,12H2,1H3/t13-,19-/m1/s1
InChI Key:
KVPJNHLVRGUYGQ-BFUOFWGJSA-N
SMILES:
O=C1[C@H](OCCN1Cc1ccccc1)O[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C
Properties
Complexity:
583
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
447.127g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
447.377g/mol
Monoisotopic Mass:
447.127g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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