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Chemical ID: 7088672
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
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Experimental Annotations
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Descriptor Annotations
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