ChemDB: Chemical Search
Download
Chemical ID: 6680619
Chemical ID:
6680619
Name [?]:
benzene-1,4-dicarbonyl chloride
SMILES [?]:
c1cc(ccc1C(=O)Cl)C(=O)Cl
InChi [?]:
InChI=1/C8H4Cl2O2/c9-7(11)5-1-2-6(4-3-5)8(10)12/h1-4H
InChi Info:
AuxInfo=1/0/N:1,2,5,4,6,3,7,10,9,12,8,11/E:(1,2,3,4)(5,6)(7,8)(9,10)(11,12)/rA:12nCCCCCCCOClCOCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s3;d10;s10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H4Cl2O2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.21593 |
Area: | 359.309 |
Solvation: | -1.7668 |
Coulombic: | -21.2573 |
Bond Count [?]
All: | 12 |
Single: | 7 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 203.022 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.49 |
LogP (Chemaxon): | 2.03 |
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 |
---|