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1830-06-4 | Cyclopentanecarboxylic acid, 2,3-bis(4-chlorophenyl)-5-oxo-, ethyl ester
CAS No: 1830-06-4 Catalog No: AG0024CC MDL No:
Product Description
Catalog Number:
AG0024CC
Chemical Name:
Cyclopentanecarboxylic acid, 2,3-bis(4-chlorophenyl)-5-oxo-, ethyl ester
CAS Number:
1830-06-4
Molecular Formula:
C20H18Cl2O3
Molecular Weight:
377.2611
IUPAC Name:
ethyl 2,3-bis(4-chlorophenyl)-5-oxocyclopentane-1-carboxylate
InChI:
InChI=1S/C20H18Cl2O3/c1-2-25-20(24)19-17(23)11-16(12-3-7-14(21)8-4-12)18(19)13-5-9-15(22)10-6-13/h3-10,16,18-19H,2,11H2,1H3
InChI Key:
IKMOAJOLEDRWLL-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1C(=O)CC(C1c1ccc(cc1)Cl)c1ccc(cc1)Cl
NSC Number:
74714
Properties
Complexity:
479
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.063g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
377.261g/mol
Monoisotopic Mass:
376.063g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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