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175203-17-5 | 3-Pyridinecarboxylic acid, 2-[[2-[(4-chlorophenyl)sulfonyl]ethyl]thio]-
CAS No: 175203-17-5 Catalog No: AG0020IM MDL No:
Product Description
Catalog Number:
AG0020IM
Chemical Name:
3-Pyridinecarboxylic acid, 2-[[2-[(4-chlorophenyl)sulfonyl]ethyl]thio]-
CAS Number:
175203-17-5
Molecular Formula:
C14H12ClNO4S2
Molecular Weight:
357.8324
IUPAC Name:
2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]pyridine-3-carboxylic acid
InChI:
InChI=1S/C14H12ClNO4S2/c15-10-3-5-11(6-4-10)22(19,20)9-8-21-13-12(14(17)18)2-1-7-16-13/h1-7H,8-9H2,(H,17,18)
InChI Key:
UQBJEHFNIQLGDU-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)S(=O)(=O)CCSc1ncccc1C(=O)O
Properties
Complexity:
472
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.99g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
357.823g/mol
Monoisotopic Mass:
356.99g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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