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77711-61-6 | ACETANILIDE, 4-(p-CHLOROPHENYLTHIO)-2-(DIETHYLAMINO)-, OXALATE
CAS No: 77711-61-6 Catalog No: AG0058FL MDL No:
Product Description
Catalog Number:
AG0058FL
Chemical Name:
ACETANILIDE, 4-(p-CHLOROPHENYLTHIO)-2-(DIETHYLAMINO)-, OXALATE
CAS Number:
77711-61-6
Molecular Formula:
C20H23ClN2O5S
Molecular Weight:
438.9250
IUPAC Name:
[2-[4-(4-chlorophenyl)sulfanylanilino]-2-oxoethyl]-diethylazanium;2-hydroxy-2-oxoacetate
InChI:
InChI=1S/C18H21ClN2OS.C2H2O4/c1-3-21(4-2)13-18(22)20-15-7-11-17(12-8-15)23-16-9-5-14(19)6-10-16;3-1(4)2(5)6/h5-12H,3-4,13H2,1-2H3,(H,20,22);(H,3,4)(H,5,6)
InChI Key:
QGPBPFFATOOKIT-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)O.CCN(CC(=O)Nc1ccc(cc1)Sc1ccc(cc1)Cl)CC
Properties
Complexity:
427
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
438.102g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
438.923g/mol
Monoisotopic Mass:
438.102g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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