ChemDB: Chemical Search
Download
Chemical ID: 6617597
Chemical ID:
6617597
Name [?]:
(2-chlorophenyl)methyl 2-fluorobenzoate
SMILES [?]:
c1ccc(c(c1)COC(=O)c2ccccc2F)Cl
InChi [?]:
InChI=1/C14H10ClFO2/c15-12-7-3-1-5-10(12)9-18-14(17)11-6-2-4-8-13(11)16/h1-8H,9H2
InChi Info:
AuxInfo=1/0/N:1,13,2,14,6,12,3,15,7,5,11,4,16,9,18,17,10,8/rA:18nCCCCCCCOCOCCCCCCFCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;s4;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H10ClFO2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.36811 |
Area: | 440.883 |
Solvation: | -2.65397 |
Coulombic: | -26.2104 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 264.679 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.45 |
LogP (Chemaxon): | 4.03 |
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 |
---|