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100945-19-5 | Ethanone, 1-[3,4-bis(acetyloxy)phenyl]-2-chloro-
CAS No: 100945-19-5 Catalog No: AG0003A6 MDL No:
Product Description
Catalog Number:
AG0003A6
Chemical Name:
Ethanone, 1-[3,4-bis(acetyloxy)phenyl]-2-chloro-
CAS Number:
100945-19-5
Molecular Formula:
C12H11ClO5
Molecular Weight:
270.6657
IUPAC Name:
[2-acetyloxy-4-(2-chloroacetyl)phenyl] acetate
InChI:
InChI=1S/C12H11ClO5/c1-7(14)17-11-4-3-9(10(16)6-13)5-12(11)18-8(2)15/h3-5H,6H2,1-2H3
InChI Key:
VRXRLAGTWYYEOT-UHFFFAOYSA-N
SMILES:
ClCC(=O)c1ccc(c(c1)OC(=O)C)OC(=O)C
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.03g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.665g/mol
Monoisotopic Mass:
270.03g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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