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1309597-88-3 | Ethanone, 1-[4-chloro-5-[4-(1,1-dimethylethyl)phenyl]-2-thienyl]-
CAS No: 1309597-88-3 Catalog No: AG000V64 MDL No:
Product Description
Catalog Number:
AG000V64
Chemical Name:
Ethanone, 1-[4-chloro-5-[4-(1,1-dimethylethyl)phenyl]-2-thienyl]-
CAS Number:
1309597-88-3
Molecular Formula:
C16H17ClOS
Molecular Weight:
292.8236
IUPAC Name:
1-[5-(4-tert-butylphenyl)-4-chlorothiophen-2-yl]ethanone
InChI:
InChI=1S/C16H17ClOS/c1-10(18)14-9-13(17)15(19-14)11-5-7-12(8-6-11)16(2,3)4/h5-9H,1-4H3
InChI Key:
ZXBLBBLQVWSYFD-UHFFFAOYSA-N
SMILES:
Clc1cc(sc1c1ccc(cc1)C(C)(C)C)C(=O)C
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.069g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.821g/mol
Monoisotopic Mass:
292.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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