ChemDB: Chemical Search
Download
Chemical ID: 7088829
Chemical ID:
7088829
Name [?]:
ethyl 3-(2,4-difluorophenyl)-3-oxo-propanoate
SMILES [?]:
CCOC(=O)CC(=O)c1ccc(cc1F)F
InChi [?]:
InChI=1/C11H10F2O3/c1-2-16-11(15)6-10(14)8-4-3-7(12)5-9(8)13/h3-5H,2,6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,11,10,13,6,12,9,14,7,4,16,15,8,5,3/rA:16nCCOCOCCOCCCCCCFF/rB:s1;s2;s3;d4;s4;s6;d7;s7;s9;d10;s11;d12;d9s13;s14;s12;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H10F2O3 |
All Atoms: | 26 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 3.30562 |
Area: | 390.641 |
Solvation: | -6.46039 |
Coulombic: | -28.3623 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 228.192 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.71 |
LogP (Chemaxon): | 1.87 |
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 |
---|