ChemDB: Chemical Search
Download
Chemical ID: 4953401
Chemical ID:
4953401
Name [?]:
1-[(3-bromophenyl)methoxy]-4-methyl-benzene
SMILES [?]:
Cc1ccc(cc1)OCc2cccc(c2)Br
InChi [?]:
InChI=1/C14H13BrO/c1-11-5-7-14(8-6-11)16-10-12-3-2-4-13(15)9-12/h2-9H,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,12,11,13,3,7,4,6,15,9,2,10,14,5,16,8/E:(5,6)(7,8)/rA:16nCCCCCCCOCCCCCCCBr/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s12;d13;d10s14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H13BrO |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.52469 |
Area: | 423.438 |
Solvation: | -2.06126 |
Coulombic: | -10.4056 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 277.156 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.88 |
LogP (Chemaxon): | 4.83 |
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 |
---|