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914637-73-3 | 1-[4-Fluoro-2-(methylsulphonyl)phenyl]piperidine-4-carboxylic acid
CAS No: 914637-73-3 Catalog No: AG01FGE4 MDL No:
Product Description
Catalog Number:
AG01FGE4
Chemical Name:
1-[4-Fluoro-2-(methylsulphonyl)phenyl]piperidine-4-carboxylic acid
CAS Number:
914637-73-3
IUPAC Name:
1-(4-fluoro-2-methylsulfonylphenyl)piperidine-4-carboxylic acid
InChI:
InChI=1S/C13H16FNO4S/c1-20(18,19)12-8-10(14)2-3-11(12)15-6-4-9(5-7-15)13(16)17/h2-3,8-9H,4-7H2,1H3,(H,16,17)
InChI Key:
GCSIFISLGZHMMA-UHFFFAOYSA-N
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.078g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
301.332g/mol
Monoisotopic Mass:
301.078g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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