Chemical ID: 7115147

CCOC(=O)C(Cc1cc(ccc1Cl)Cl)Br
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

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