CID 47358821
PubChem CID
47358821
Structure
Molecular Formula
Status
Non-live
Molecular Weight
295.28 g/mol
Dates
- Create:2010-11-26
Chemical Structure Depiction
3-methyl-4-(2,4,6-trifluorophenyl)sulfonylmorpholine
InChI=1S/C11H12F3NO3S/c1-7-6-18-3-2-15(7)19(16,17)11-9(13)4-8(12)5-10(11)14/h4-5,7H,2-3,6H2,1H3
XNTPUVYCXPXXTC-UHFFFAOYSA-N
CC1COCCN1S(=O)(=O)C2=C(C=C(C=C2F)F)F
C11H12F3NO3S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
295.28 g/mol
Property Name
XLogP3-AA
Property Value
1.4
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
7
Property Name
Rotatable Bond Count
Property Value
2
Property Name
Exact Mass
Property Value
295.04899890 g/mol
Property Name
Monoisotopic Mass
Property Value
295.04899890 g/mol
Property Name
Topological Polar Surface Area
Property Value
55 A^2
Property Name
Heavy Atom Count
Property Value
19
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
402
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
1
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
CONTENTS