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Home > Fluorides > 914637-63-1
914637-63-1 | 1-[2-Fluoro-4-(methylsulfonyl)phenyl]piperidine-4-carboxamide
CAS No: 914637-63-1 Catalog No: AG01EZ22 MDL No:
Product Description
Catalog Number:
AG01EZ22
Chemical Name:
1-[2-Fluoro-4-(methylsulfonyl)phenyl]piperidine-4-carboxamide
CAS Number:
914637-63-1
Molecular Formula:
C13H17FN2O3S
Molecular Weight:
300.3491
IUPAC Name:
1-(2-fluoro-4-methylsulfonylphenyl)piperidine-4-carboxamide
InChI:
InChI=1S/C13H17FN2O3S/c1-20(18,19)10-2-3-12(11(14)8-10)16-6-4-9(5-7-16)13(15)17/h2-3,8-9H,4-7H2,1H3,(H2,15,17)
InChI Key:
YPRZSALPENKYPD-UHFFFAOYSA-N
SMILES:
NC(=O)C1CCN(CC1)c1ccc(cc1F)S(=O)(=O)C
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.094g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.348g/mol
Monoisotopic Mass:
300.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
88.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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