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914637-67-5 | 1-[2-Fluoro-4-(methylsulphonyl)phenyl]piperidine-3-carboxylic acid
CAS No: 914637-67-5 Catalog No: AG01FGE3 MDL No:
Product Description
Catalog Number:
AG01FGE3
Chemical Name:
1-[2-Fluoro-4-(methylsulphonyl)phenyl]piperidine-3-carboxylic acid
CAS Number:
914637-67-5
IUPAC Name:
1-(2-fluoro-4-methylsulfonylphenyl)piperidine-3-carboxylic acid
InChI:
InChI=1S/C13H16FNO4S/c1-20(18,19)10-4-5-12(11(14)7-10)15-6-2-3-9(8-15)13(16)17/h4-5,7,9H,2-3,6,8H2,1H3,(H,16,17)
InChI Key:
LQDSRWORXHXPED-UHFFFAOYSA-N
Properties
Complexity:
462
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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