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149609-86-9 | 3-Thiophenecarboxylic acid, 4-[(4-chlorophenyl)thio]-
CAS No: 149609-86-9 Catalog No: AG001LVF MDL No:MFCD00052149
Product Description
Catalog Number:
AG001LVF
Chemical Name:
3-Thiophenecarboxylic acid, 4-[(4-chlorophenyl)thio]-
CAS Number:
149609-86-9
Molecular Formula:
C11H7ClO2S2
Molecular Weight:
270.7551
MDL Number:
MFCD00052149
IUPAC Name:
4-(4-chlorophenyl)sulfanylthiophene-3-carboxylic acid
InChI:
InChI=1S/C11H7ClO2S2/c12-7-1-3-8(4-2-7)16-10-6-15-5-9(10)11(13)14/h1-6H,(H,13,14)
InChI Key:
UKDSGGJQRSNTHC-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)Sc1cscc1C(=O)O
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.958g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.745g/mol
Monoisotopic Mass:
269.958g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
90.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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