ChemDB: Chemical Search
Download
Chemical ID: 4115730
Chemical ID:
4115730
Name [?]:
2,3,5,6-tetrabromo-4-methyl-phenol
SMILES [?]:
Cc1c(c(c(c(c1Br)Br)O)Br)Br
InChi [?]:
InChI=1/C7H4Br4O/c1-2-3(8)5(10)7(12)6(11)4(2)9/h12H,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,7,4,6,5,12,8,11,9,10/E:(3,4)(5,6)(8,9)(10,11)/rA:12nCCCCCCCBrBrOBrBr/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s5;s4;s3;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H4Br4O |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.50615 |
Area: | 352.621 |
Solvation: | -1.30938 |
Coulombic: | -16.3571 |
Bond Count [?]
All: | 12 |
Single: | 9 |
Double: | 3 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 423.722 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 5.03 |
LogP (Chemaxon): | 5.4 |
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 |
---|