Structure
|
|
|
| InChI Key |
KYCZCJACRVPWFK-UHFFFAOYSA-N |
| Smiles |
O=C(OC=1C(Br)=CC(Br)=CC1Br)OC=2C(Br)=CC(Br)=CC2Br
|
| InChI |
InChI=1/C13H4Br6O3/c14-5-1-7(16)11(8(17)2-5)21-13(20)22-12-9(18)3-6(15)4-10(12)19/h1-4H
|
Physicochemical Descriptors
| Property Name |
Value |
|
| Molecular Formula |
C13H4Br6O3 |
| Molecular Weight |
681.53 |
| AlogP |
7.84 |
| Hydrogen Bond Acceptor |
3.0 |
| Number of Rotational Bond |
2.0 |
| Polar Surface Area |
35.53 |
| Heavy Atoms |
22.0 |
Cross References
| Resources |
Reference |
|
|
CAS NUMBER
|
67990-32-3
|
| NORMAN SUSDAT |
|
| PubChem |
106326
|