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175202-88-7 | 3-Thiophenecarboxylic acid, 4-[(4-chlorophenyl)thio]-, methyl ester
CAS No: 175202-88-7 Catalog No: AG0020HQ MDL No:MFCD00052147
Product Description
Catalog Number:
AG0020HQ
Chemical Name:
3-Thiophenecarboxylic acid, 4-[(4-chlorophenyl)thio]-, methyl ester
CAS Number:
175202-88-7
Molecular Formula:
C12H9ClO2S2
Molecular Weight:
284.7817
MDL Number:
MFCD00052147
IUPAC Name:
methyl 4-(4-chlorophenyl)sulfanylthiophene-3-carboxylate
InChI:
InChI=1S/C12H9ClO2S2/c1-15-12(14)10-6-16-7-11(10)17-9-4-2-8(13)3-5-9/h2-7H,1H3
InChI Key:
NJFQCQSYIJGCNG-UHFFFAOYSA-N
SMILES:
COC(=O)c1cscc1Sc1ccc(cc1)Cl
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.973g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.772g/mol
Monoisotopic Mass:
283.973g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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