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166964-34-7 | 2-Thiophenesulfonyl chloride, 5-[[(4-chlorobenzoyl)amino]methyl]-
CAS No: 166964-34-7 Catalog No: AG001X2Q MDL No:MFCD00084934
Product Description
Catalog Number:
AG001X2Q
Chemical Name:
2-Thiophenesulfonyl chloride, 5-[[(4-chlorobenzoyl)amino]methyl]-
CAS Number:
166964-34-7
Molecular Formula:
C12H9Cl2NO3S2
Molecular Weight:
350.2408
MDL Number:
MFCD00084934
IUPAC Name:
5-[[(4-chlorobenzoyl)amino]methyl]thiophene-2-sulfonyl chloride
InChI:
InChI=1S/C12H9Cl2NO3S2/c13-9-3-1-8(2-4-9)12(16)15-7-10-5-6-11(19-10)20(14,17)18/h1-6H,7H2,(H,15,16)
InChI Key:
HWAXMFYECKQLDX-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C(=O)NCc1ccc(s1)S(=O)(=O)Cl
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.94g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
350.228g/mol
Monoisotopic Mass:
348.94g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
99.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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