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821800-12-8 | 3-Thiomorpholinecarboxylic acid, 4-[(3-fluorophenyl)sulfonyl]-, (3R)-
CAS No: 821800-12-8 Catalog No: AG0056PA MDL No:
Product Description
Catalog Number:
AG0056PA
Chemical Name:
3-Thiomorpholinecarboxylic acid, 4-[(3-fluorophenyl)sulfonyl]-, (3R)-
CAS Number:
821800-12-8
Molecular Formula:
C11H12FNO4S2
Molecular Weight:
305.3457
IUPAC Name:
(3R)-4-(3-fluorophenyl)sulfonylthiomorpholine-3-carboxylic acid
InChI:
InChI=1S/C11H12FNO4S2/c12-8-2-1-3-9(6-8)19(16,17)13-4-5-18-7-10(13)11(14)15/h1-3,6,10H,4-5,7H2,(H,14,15)/t10-/m0/s1
InChI Key:
INXFAIUIZBDFES-JTQLQIEISA-N
SMILES:
OC(=O)[C@@H]1CSCCN1S(=O)(=O)c1cccc(c1)F
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
305.019g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
305.338g/mol
Monoisotopic Mass:
305.019g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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