ChemDB: Chemical Search
Download
Chemical ID: 7218254
Chemical ID:
7218254
Name [?]:
2-bromo-3-(2,4-dichlorophenyl)-propanoate
SMILES [?]:
c1cc(c(cc1Cl)Cl)CC(C(=O)[O-])Br
InChi [?]:
InChI=1/C9H7BrCl2O2/c10-7(9(13)14)3-5-1-2-6(11)4-8(5)12/h1-2,4,7H,3H2,(H,13,14)/p-1
InChi Info:
AuxInfo=1/1/N:2,1,9,5,3,6,10,4,11,14,7,8,12,13/E:(13,14)/rA:14cCCCCCCClClCCCOO-Br/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;s9;s10;d11;s11;s10;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H6BrCl2O2- |
All Atoms: | 20 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | -32.1203 |
Area: | 400.914 |
Solvation: | -42.1431 |
Coulombic: | -3.09956 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 296.952 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.0 |
LogP (Chemaxon): | 3.75 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|