Home Halogens 1,3-diethyl 2-(3-chlorophenyl)propanedioate

1,3-diethyl 2-(3-chlorophenyl)propanedioate

CAS No.:
93307-66-5
Catalog Number:
AG01AK2D
Molecular Formula:
C13H15ClO4
Molecular Weight:
270.7088
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Product Description
Catalog Number:
AG01AK2D
Chemical Name:
1,3-diethyl 2-(3-chlorophenyl)propanedioate
CAS Number:
93307-66-5
Molecular Formula:
C13H15ClO4
Molecular Weight:
270.7088
MDL Number:
MFCD06205061
IUPAC Name:
diethyl 2-(3-chlorophenyl)propanedioate
InChI:
InChI=1S/C13H15ClO4/c1-3-17-12(15)11(13(16)18-4-2)9-6-5-7-10(14)8-9/h5-8,11H,3-4H2,1-2H3
InChI Key:
IVLPRPZSLKVRGX-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(c1cccc(c1)Cl)C(=O)OCC
NSC Number:
106644
Properties
Complexity:
275  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.066g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.709g/mol
Monoisotopic Mass:
270.066g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties