Home Halogens 1,3-dimethyl 2-(4-chlorophenyl)propanedioate

1,3-dimethyl 2-(4-chlorophenyl)propanedioate

CAS No.:
34402-92-1
Catalog Number:
AG01B6I4
Molecular Formula:
C11H11ClO4
Molecular Weight:
242.6556
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Product Description
Catalog Number:
AG01B6I4
Chemical Name:
1,3-dimethyl 2-(4-chlorophenyl)propanedioate
CAS Number:
34402-92-1
Molecular Formula:
C11H11ClO4
Molecular Weight:
242.6556
MDL Number:
MFCD05666042
IUPAC Name:
dimethyl 2-(4-chlorophenyl)propanedioate
InChI:
InChI=1S/C11H11ClO4/c1-15-10(13)9(11(14)16-2)7-3-5-8(12)6-4-7/h3-6,9H,1-2H3
InChI Key:
CYPPECTXRWWSQY-UHFFFAOYSA-N
SMILES:
COC(=O)C(c1ccc(cc1)Cl)C(=O)OC
Properties
Complexity:
243  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.035g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.655g/mol
Monoisotopic Mass:
242.035g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties