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84803-73-6

84803-73-6 | DIETHYL 2,4-DIACETYL-3-(4-CHLOROPHENYL)GLUTARATE

CAS No: 84803-73-6 Catalog No: AG004XEZ MDL No:

Product Description

Catalog Number:
AG004XEZ
Chemical Name:
DIETHYL 2,4-DIACETYL-3-(4-CHLOROPHENYL)GLUTARATE
CAS Number:
84803-73-6
Molecular Formula:
C19H23ClO6
Molecular Weight:
382.8353
IUPAC Name:
diethyl 2,4-diacetyl-3-(4-chlorophenyl)pentanedioate
InChI:
InChI=1S/C19H23ClO6/c1-5-25-18(23)15(11(3)21)17(13-7-9-14(20)10-8-13)16(12(4)22)19(24)26-6-2/h7-10,15-17H,5-6H2,1-4H3
InChI Key:
DNQLYCOOQIWASI-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(C(C(=O)OCC)C(=O)C)c1ccc(cc1)Cl)C(=O)C
EC Number:
284-201-0

Properties

Complexity:
488  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.118g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
382.837g/mol
Monoisotopic Mass:
382.118g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  

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