| CAS Number | 343787-47-3 |
| Catalog Number | AG01B9AG(AGN-PC-0NJNCW) |
| Chemical Name | 2-Bromo-1-(2,3-dichlorophenyl)ethanone |
| IUPAC Name | 2-bromo-1-(2,3-dichlorophenyl)ethanone |
| InChI | InChI=1S/C8H5BrCl2O/c9-4-7(12)5-2-1-3-6(10)8(5)11/h1-3H,4H2 |
| InChI Key | ZXHZSXQLCITUHR-UHFFFAOYSA-N |
| MDL Number | MFCD03425178 |
| Molecular Formula | C8H5BrCl2O |
| Molecular Weight | 267.9347 |
| SMILES | ClC1=C(Cl)C(C(CBr)=O)=CC=C1 |
| Synonyms | 343787-47-3,
2-Bromo-1-(2,3-dichlorophenyl)ethan-1-one,
2-BROMO-1-(2,3-DICHLOROPHENYL)ETHANONE,
Ethanone, 2-bromo-1-(2,3-dichlorophenyl)-,
SCHEMBL1199039,
CTK1B7746,
DTXSID50504669,
ZXHZSXQLCITUHR-UHFFFAOYSA-N,
ZINC2576084,
AKOS017549687,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.89g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.931g/mol |
| Monoisotopic Mass | 265.89g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
8
|
|
Hazard statements
|
H314
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P321-P363-P405-P501
|
|
UN Code
|
UN 1759
|
Certificate of Analysis
Lot Number