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808123-65-1 | Ethanone, 1-[5-(4-chlorophenyl)-4-hydroxy-3-thienyl]-
CAS No: 808123-65-1 Catalog No: AG005IPJ MDL No:
Product Description
Catalog Number:
AG005IPJ
Chemical Name:
Ethanone, 1-[5-(4-chlorophenyl)-4-hydroxy-3-thienyl]-
CAS Number:
808123-65-1
Molecular Formula:
C12H9ClO2S
Molecular Weight:
252.7167
IUPAC Name:
1-[5-(4-chlorophenyl)-4-hydroxythiophen-3-yl]ethanone
InChI:
InChI=1S/C12H9ClO2S/c1-7(14)10-6-16-12(11(10)15)8-2-4-9(13)5-3-8/h2-6,15H,1H3
InChI Key:
OGBRLOGEXGACFE-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1scc(c1O)C(=O)C
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.001g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.712g/mol
Monoisotopic Mass:
252.001g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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