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851547-91-6 | 2-Propanone, 1-(acetyloxy)-3-(5-chlorobenzo[b]thien-3-yl)-
CAS No: 851547-91-6 Catalog No: AG004MXP MDL No:
Product Description
Catalog Number:
AG004MXP
Chemical Name:
2-Propanone, 1-(acetyloxy)-3-(5-chlorobenzo[b]thien-3-yl)-
CAS Number:
851547-91-6
Molecular Formula:
C13H11ClO3S
Molecular Weight:
282.7426
IUPAC Name:
[3-(5-chloro-1-benzothiophen-3-yl)-2-oxopropyl] acetate
InChI:
InChI=1S/C13H11ClO3S/c1-8(15)17-6-11(16)4-9-7-18-13-3-2-10(14)5-12(9)13/h2-3,5,7H,4,6H2,1H3
InChI Key:
MRYPLWLEKDWTCV-UHFFFAOYSA-N
SMILES:
CC(=O)OCC(=O)Cc1csc2c1cc(Cl)cc2
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.012g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.738g/mol
Monoisotopic Mass:
282.012g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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