ChemDB: Chemical Search
Download
Chemical ID: 4167203
Chemical ID:
4167203
Name [?]:
methyl 2-(4-fluorophenyl)acetate
SMILES [?]:
COC(=O)Cc1ccc(cc1)F
InChi [?]:
InChI=1/C9H9FO2/c1-12-9(11)6-7-2-4-8(10)5-3-7/h2-5H,6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,7,11,8,10,5,6,9,3,12,4,2/E:(2,3)(4,5)/rA:12nCOCOCCCCCCCF/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s9;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H9FO2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.25773 |
Area: | 325.795 |
Solvation: | -2.88715 |
Coulombic: | -22.2875 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 168.165 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 1.93 |
LogP (Chemaxon): | 1.85 |
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 |
---|