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808122-96-5 | Ethanone, 1-[5-(3,4-dichlorophenyl)-4-hydroxy-3-thienyl]-
CAS No: 808122-96-5 Catalog No: AG005IPL MDL No:
Product Description
Catalog Number:
AG005IPL
Chemical Name:
Ethanone, 1-[5-(3,4-dichlorophenyl)-4-hydroxy-3-thienyl]-
CAS Number:
808122-96-5
Molecular Formula:
C12H8Cl2O2S
Molecular Weight:
287.1617
IUPAC Name:
1-[5-(3,4-dichlorophenyl)-4-hydroxythiophen-3-yl]ethanone
InChI:
InChI=1S/C12H8Cl2O2S/c1-6(15)8-5-17-12(11(8)16)7-2-3-9(13)10(14)4-7/h2-5,16H,1H3
InChI Key:
RGQFAAYLXUBSJO-UHFFFAOYSA-N
SMILES:
CC(=O)c1csc(c1O)c1ccc(c(c1)Cl)Cl
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.962g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.154g/mol
Monoisotopic Mass:
285.962g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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