ChemDB: Chemical Search
Download
Chemical ID: 6047482
Chemical ID:
6047482
Name [?]:
4,5,6,7-tetrabromo-3H-benzoimidazole
SMILES [?]:
c1[nH]c2c(n1)c(c(c(c2Br)Br)Br)Br
InChi [?]:
InChI=1/C7H2Br4N2/c8-2-3(9)5(11)7-6(4(2)10)12-1-13-7/h1H,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,7,8,6,9,4,3,12,11,13,10,5,2/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:13nCNCCNCCCCBrBrBrBr/rB:s1;s2;s3;d1s4;d4;s6;d7;d3s8;s9;s8;s7;s6;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H2Br4N2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.97349 |
Area: | 362.388 |
Solvation: | -1.0862 |
Coulombic: | -15.5266 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 433.72 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 4.51 |
LogP (Chemaxon): | 4.71 |
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 |
---|