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138872-76-1 | Acetamide, N-[1-(fluoromethyl)-2-hydroxy-2-[4-(methylsulfonyl)phenyl]ethyl]-, [R-(R*,S*)]- (9CI)
CAS No: 138872-76-1 Catalog No: AG0019QI MDL No:
Product Description
Catalog Number:
AG0019QI
Chemical Name:
Acetamide, N-[1-(fluoromethyl)-2-hydroxy-2-[4-(methylsulfonyl)phenyl]ethyl]-, [R-(R*,S*)]- (9CI)
CAS Number:
138872-76-1
IUPAC Name:
N-[(1R,2S)-3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]acetamide
InChI:
InChI=1S/C12H16FNO4S/c1-8(15)14-11(7-13)12(16)9-3-5-10(6-4-9)19(2,17)18/h3-6,11-12,16H,7H2,1-2H3,(H,14,15)/t11-,12-/m1/s1
InChI Key:
SMWQTDMSXSQXOI-VXGBXAGGSA-N
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
289.078g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
289.321g/mol
Monoisotopic Mass:
289.078g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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