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145865-79-8 | 2-Thiophenecarboxylic acid, 3-[[2-[(4-chlorophenyl)methylene]hydrazinyl]sulfonyl]-, methyl ester
CAS No: 145865-79-8 Catalog No: AG001DH9 MDL No:
Product Description
Catalog Number:
AG001DH9
Chemical Name:
2-Thiophenecarboxylic acid, 3-[[2-[(4-chlorophenyl)methylene]hydrazinyl]sulfonyl]-, methyl ester
CAS Number:
145865-79-8
Molecular Formula:
C13H11ClN2O4S2
Molecular Weight:
358.8204
IUPAC Name:
methyl 3-[[(4-chlorophenyl)methylideneamino]sulfamoyl]thiophene-2-carboxylate
InChI:
InChI=1S/C13H11ClN2O4S2/c1-20-13(17)12-11(6-7-21-12)22(18,19)16-15-8-9-2-4-10(14)5-3-9/h2-8,16H,1H3
InChI Key:
FFIKFZFQTOEGFN-UHFFFAOYSA-N
SMILES:
COC(=O)c1sccc1S(=O)(=O)NN=Cc1ccc(cc1)Cl
Properties
Complexity:
513
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.985g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
358.811g/mol
Monoisotopic Mass:
357.985g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3
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