| CAS Number | 859212-75-2 |
| Catalog Number | AG00IDTJ |
| Chemical Name | Methyl 4-(bromomethyl)-3,5-dichlorobenzoate |
| IUPAC Name | methyl 4-(bromomethyl)-3,5-dichlorobenzoate |
| InChI | InChI=1S/C9H7BrCl2O2/c1-14-9(13)5-2-7(11)6(4-10)8(12)3-5/h2-3H,4H2,1H3 |
| InChI Key | KQHHSNCXMBIUQF-UHFFFAOYSA-N |
| MDL Number | MFCD28148153 |
| Molecular Formula | C9H7BrCl2O2 |
| Molecular Weight | 297.9607 |
| SMILES | COC(=O)C1=CC(Cl)=C(CBr)C(Cl)=C1 |
| Synonyms | 859212-75-2,
methyl 4-(bromomethyl)-3,5-dichlorobenzoate,
Methyl 4-bromomethyl-3,5-dichlorobenzoate,
SCHEMBL3563511,
MFCD28148153,
ZINC59773335,
AS-46428,
|
| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 295.901g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 297.957g/mol |
| Monoisotopic Mass | 295.901g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
| Symbol: |   |
|
Hazard Class
|
8
|
|
Hazard statements
|
H302-H314
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P280-P305+P351+P338-P310
|
|
UN Code
|
UN 1759
|
Certificate of Analysis
Lot Number