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Chemical ID: 7115147
Chemical ID:
7115147
Name [?]:
ethyl 2-bromo-3-(2,5-dichlorophenyl)-propanoate
SMILES [?]:
CCOC(=O)C(Cc1cc(ccc1Cl)Cl)Br
InChi [?]:
InChI=1/C11H11BrCl2O2/c1-2-16-11(15)9(12)6-7-5-8(13)3-4-10(7)14/h3-5,9H,2,6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,11,12,9,7,8,10,6,13,4,16,15,14,5,3/rA:16cCCOCOCCCCCCCCClClBr/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s10;d11;d8s12;s13;s10;s6;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H11BrCl2O2 |
All Atoms: | 27 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.30559 |
Area: | 449.131 |
Solvation: | -1.9227 |
Coulombic: | -20.5059 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 326.013 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.22 |
LogP (Chemaxon): | 4.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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