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821800-13-9 | 3-Thiomorpholinecarboxylic acid, 4-[(2,4-difluorophenyl)sulfonyl]-, (3R)-
CAS No: 821800-13-9 Catalog No: AG005HX1 MDL No:
Product Description
Catalog Number:
AG005HX1
Chemical Name:
3-Thiomorpholinecarboxylic acid, 4-[(2,4-difluorophenyl)sulfonyl]-, (3R)-
CAS Number:
821800-13-9
Molecular Formula:
C11H11F2NO4S2
Molecular Weight:
323.3361
IUPAC Name:
(3R)-4-(2,4-difluorophenyl)sulfonylthiomorpholine-3-carboxylic acid
InChI:
InChI=1S/C11H11F2NO4S2/c12-7-1-2-10(8(13)5-7)20(17,18)14-3-4-19-6-9(14)11(15)16/h1-2,5,9H,3-4,6H2,(H,15,16)/t9-/m0/s1
InChI Key:
MGWGJCMYWDPMLJ-VIFPVBQESA-N
SMILES:
OC(=O)[C@@H]1CSCCN1S(=O)(=O)c1ccc(cc1F)F
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
323.01g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
323.329g/mol
Monoisotopic Mass:
323.01g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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