ChemDB: Chemical Search
Download
Chemical ID: 7151361
Chemical ID:
7151361
Name [?]:
2-[(3-bromophenyl)methoxy]-3-methoxy-benzaldehyde
SMILES [?]:
COc1cccc(c1OCc2cccc(c2)Br)C=O
InChi [?]:
InChI=1/C15H13BrO3/c1-18-14-7-3-5-12(9-17)15(14)19-10-11-4-2-6-13(16)8-11/h2-9H,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,5,12,6,14,4,16,18,10,11,7,15,3,8,17,19,2,9/rA:19nCOCCCCCCOCCCCCCCBrCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s15;s7;d18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13BrO3 |
All Atoms: | 32 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.31078 |
Area: | 466.5 |
Solvation: | -4.35172 |
Coulombic: | -24.3879 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 321.166 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.79 |
LogP (Chemaxon): | 3.79 |
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 |
---|