| CAS Number | 1095274-55-7 |
| Catalog Number | AG008TQ1(AGN-PC-0WCZ6D) |
| Chemical Name | Ethyl 3-bromo-5-chlorobenzoate |
| EC Number | 924-441-1 |
| IUPAC Name | ethyl 3-bromo-5-chlorobenzoate |
| InChI | InChI=1S/C9H8BrClO2/c1-2-13-9(12)6-3-7(10)5-8(11)4-6/h3-5H,2H2,1H3 |
| InChI Key | PQIMKYGTOMCPME-UHFFFAOYSA-N |
| MDL Number | MFCD10566220 |
| Molecular Formula | C9H8BrClO2 |
| Molecular Weight | 263.5156 |
| SMILES | O=C(OCC)C1=CC(Cl)=CC(Br)=C1 |
| Synonyms | Ethyl 3-Bromo-5-chlorobenzoate,
1095274-55-7,
SCHEMBL4758271,
PQIMKYGTOMCPME-UHFFFAOYSA-N,
ZINC36532950,
AKOS017555485,
AS03594,
SC-42472,
3-Bromo-5-chloro-benzoic acid ethyl ester,
AB0032177,
X5462,
C9H8BrClO2,
|
| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.94g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.515g/mol |
| Monoisotopic Mass | 261.94g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number