ChemDB: Chemical Search
Download
Chemical ID: 7089403
Chemical ID:
7089403
Name [?]:
1-fluoro-4-(phenoxymethyl)benzene
SMILES [?]:
c1ccc(cc1)OCc2ccc(cc2)F
InChi [?]:
InChI=1/C13H11FO/c14-12-8-6-11(7-9-12)10-15-13-4-2-1-3-5-13/h1-9H,10H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,10,14,11,13,8,9,12,4,15,7/E:(2,3)(4,5)(6,7)(8,9)/rA:15nCCCCCCOCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s12;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H11FO |
All Atoms: | 26 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.47786 |
Area: | 376.93 |
Solvation: | -2.94539 |
Coulombic: | -13.8584 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 202.224 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.81 |
LogP (Chemaxon): | 3.71 |
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 |
---|