Chemical ID: 7088672

CCOC(=O)CC(=O)c1ccc(c(c1)Cl)Cl
Chemical ID:
7088672
Name [?]:
ethyl 3-(3,4-dichlorophenyl)-3-oxo-propanoate
SMILES [?]:
CCOC(=O)CC(=O)c1ccc(c(c1)Cl)Cl
InChi [?]:
InChI=1/C11H10Cl2O3/c1-2-16-11(15)6-10(14)7-3-4-8(12)9(13)5-7/h3-5H,2,6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,10,11,14,6,9,12,13,7,4,16,15,8,5,3/rA:16nCCOCOCCOCCCCCCClCl/rB:s1;s2;s3;d4;s4;s6;d7;s7;s9;d10;s11;d12;d9s13;s13;s12;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H10Cl2O3
All Atoms:26
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.16396
Area:442.695
Solvation:-3.90342
Coulombic:-24.6059
Bond Count [?]
All:16
Single:11
Double:5
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:261.101
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.63
LogP (Chemaxon):2.62

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue