| CAS Number | 650598-43-9 |
| Catalog Number | AG01EL79(AGN-PC-004VBK) |
| Chemical Name | 2-Bromo-4,6-dichlorobenzoic acid |
| IUPAC Name | 2-bromo-4,6-dichlorobenzoic acid |
| InChI | InChI=1S/C7H3BrCl2O2/c8-4-1-3(9)2-5(10)6(4)7(11)12/h1-2H,(H,11,12) |
| InChI Key | TYLORTSVHWJWAD-UHFFFAOYSA-N |
| MDL Number | MFCD27926964 |
| Molecular Formula | C7H3BrCl2O2 |
| Molecular Weight | 269.9075 |
| SMILES | OC(C1=C(Br)C=C(Cl)C=C1Cl)=O |
| Synonyms | 2-Bromo-4,6-dichlorobenzoic acid,
650598-43-9,
Benzoic acid, 2-bromo-4,6-dichloro-,
SCHEMBL3528389,
CTK2A0587,
DTXSID40459538,
TYLORTSVHWJWAD-UHFFFAOYSA-N,
6-Bromo-2,4-dichlorobenzoic acid,
MFCD27926964,
ZINC90484129,
AKOS024264360,
FT-0749807,
2-bromo-4,6-dichloro-benzoic Acid,
CID11231019,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.869g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.903g/mol |
| Monoisotopic Mass | 267.869g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number