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84254-98-8 | 4-Piperidinecarboxylicacid, 4-(4-chlorophenyl)-1-[(4-methylphenyl)sulfonyl]-
CAS No: 84254-98-8 Catalog No: AG005727 MDL No:
Product Description
Catalog Number:
AG005727
Chemical Name:
4-Piperidinecarboxylicacid, 4-(4-chlorophenyl)-1-[(4-methylphenyl)sulfonyl]-
CAS Number:
84254-98-8
Molecular Formula:
C19H20ClNO4S
Molecular Weight:
393.8844
IUPAC Name:
4-(4-chlorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxylic acid
InChI:
InChI=1S/C19H20ClNO4S/c1-14-2-8-17(9-3-14)26(24,25)21-12-10-19(11-13-21,18(22)23)15-4-6-16(20)7-5-15/h2-9H,10-13H2,1H3,(H,22,23)
InChI Key:
HCBWXTUQOKBKOO-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)(C(=O)O)c1ccc(cc1)Cl
EC Number:
282-545-6
Properties
Complexity:
594
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.08g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
393.882g/mol
Monoisotopic Mass:
393.08g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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