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890100-30-8 | 3-ACETOXY-2',6'-DICHLOROBENZOPHENONE
CAS No: 890100-30-8 Catalog No: AG0044NQ MDL No:
Product Description
Catalog Number:
AG0044NQ
Chemical Name:
3-ACETOXY-2',6'-DICHLOROBENZOPHENONE
CAS Number:
890100-30-8
Molecular Formula:
C15H10Cl2O3
Molecular Weight:
309.1441
IUPAC Name:
[3-(2,6-dichlorobenzoyl)phenyl] acetate
InChI:
InChI=1S/C15H10Cl2O3/c1-9(18)20-11-5-2-4-10(8-11)15(19)14-12(16)6-3-7-13(14)17/h2-8H,1H3
InChI Key:
VFKNECZEVVIUKI-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1cccc(c1)C(=O)c1c(Cl)cccc1Cl
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.001g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.142g/mol
Monoisotopic Mass:
308.001g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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