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830330-70-6 | 2-Thiophenesulfonyl chloride, 5-[2-[(4-chlorophenyl)amino]-2-oxoethyl]-
CAS No: 830330-70-6 Catalog No: AG004XV4 MDL No:
Product Description
Catalog Number:
AG004XV4
Chemical Name:
2-Thiophenesulfonyl chloride, 5-[2-[(4-chlorophenyl)amino]-2-oxoethyl]-
CAS Number:
830330-70-6
Molecular Formula:
C12H9Cl2NO3S2
Molecular Weight:
350.2408
IUPAC Name:
5-[2-(4-chloroanilino)-2-oxoethyl]thiophene-2-sulfonyl chloride
InChI:
InChI=1S/C12H9Cl2NO3S2/c13-8-1-3-9(4-2-8)15-11(16)7-10-5-6-12(19-10)20(14,17)18/h1-6H,7H2,(H,15,16)
InChI Key:
AZBUAAOEUCZPCP-UHFFFAOYSA-N
SMILES:
O=C(Cc1ccc(s1)S(=O)(=O)Cl)Nc1ccc(cc1)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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