| CAS Number | 205106-54-3 |
| Catalog Number | AG0029VM(AGN-PC-0AA0P9) |
| Chemical Name | Methyl 4-(2-bromoethoxy)-3-chlorobenzoate |
| IUPAC Name | methyl 4-(2-bromoethoxy)-3-chlorobenzoate |
| InChI | InChI=1S/C10H10BrClO3/c1-14-10(13)7-2-3-9(8(12)6-7)15-5-4-11/h2-3,6H,4-5H2,1H3 |
| InChI Key | KCXJTYFMIJPMIC-UHFFFAOYSA-N |
| MDL Number | MFCD20502028 |
| Molecular Formula | C10H10BrClO3 |
| Molecular Weight | 293.5416 |
| SMILES | COC(C1=CC(Cl)=C(OCCBr)C=C1)=O |
| Synonyms | methyl 4-(2-bromoethoxy)-3-chlorobenzoate,
205106-54-3,
Benzoic acid, 4-(2-bromoethoxy)-3-chloro-, methyl ester,
SCHEMBL4825545,
CTK0J0345,
DTXSID60712430,
KCXJTYFMIJPMIC-UHFFFAOYSA-N,
ZINC71790373,
AKOS026677414,
NE16646,
EN300-93088,
4-(2-bromo-ethoxy)-3-chloro-benzoic acid methyl ester,
F1905-6642,
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| Complexity | 213 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 291.95g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 293.541g/mol |
| Monoisotopic Mass | 291.95g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number