| CAS Number | 690260-90-3 |
| Catalog Number | AG005Z69(AGN-PC-09PZ5M) |
| Chemical Name | Ethyl 2-bromo-4-chlorobenzoate |
| IUPAC Name | ethyl 2-bromo-4-chlorobenzoate |
| InChI | InChI=1S/C9H8BrClO2/c1-2-13-9(12)7-4-3-6(11)5-8(7)10/h3-5H,2H2,1H3 |
| InChI Key | BUKXFSIXDJSOCF-UHFFFAOYSA-N |
| MDL Number | MFCD10566824 |
| Molecular Formula | C9H8BrClO2 |
| Molecular Weight | 263.5156 |
| SMILES | O=C(OCC)C1=CC=C(Cl)C=C1Br |
| Synonyms | ETHYL 2-BROMO-4-CHLOROBENZOATE,
690260-90-3,
ACMC-209o5i,
SCHEMBL5099711,
CTK5C8917,
DTXSID30681765,
BUKXFSIXDJSOCF-UHFFFAOYSA-N,
ANW-35572,
KM1234,
MFCD10566824,
ZINC65336910,
AKOS015834909,
CJ-21014,
AJ-114935,
TR-037495,
V7305,
I01-10715,
C9H8BrClO2,
Methyl 2-bromo-4-chlorobenzoate,
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| 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 | 3.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number