ChemDB: Chemical Search
Download
Chemical ID: 4254029
Chemical ID:
4254029
Name [?]:
4-[(3-bromophenyl)methoxy]benzaldehyde
SMILES [?]:
c1cc(cc(c1)Br)COc2ccc(cc2)C=O
InChi [?]:
InChI=1/C14H11BrO2/c15-13-3-1-2-12(8-13)10-17-14-6-4-11(9-16)5-7-14/h1-9H,10H2
InChi Info:
AuxInfo=1/0/N:1,2,6,12,14,11,15,4,16,8,13,3,5,10,7,17,9/E:(4,5)(6,7)/rA:17nCCCCCCBrCOCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;s9;s10;d11;s12;d13;d10s14;s13;d16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H11BrO2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.35269 |
Area: | 439.441 |
Solvation: | -3.63332 |
Coulombic: | -16.422 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 291.14 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.14 |
LogP (Chemaxon): | 4.04 |
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 |
---|