| CAS Number | 1261455-37-1 |
| Catalog Number | AG000RR3(AGN-PC-0WCYOV) |
| Chemical Name | Ethyl 3-(2-bromo-6-chlorophenyl)propanoate |
| IUPAC Name | ethyl 3-(2-bromo-6-chlorophenyl)propanoate |
| InChI | InChI=1S/C11H12BrClO2/c1-2-15-11(14)7-6-8-9(12)4-3-5-10(8)13/h3-5H,2,6-7H2,1H3 |
| InChI Key | XMFNGBZSFDBVGV-UHFFFAOYSA-N |
| MDL Number | MFCD18395870 |
| Molecular Formula | C11H12BrClO2 |
| Molecular Weight | 291.5688 |
| SMILES | CCOC(=O)CCC1=C(Cl)C=CC=C1Br |
| Synonyms | ETHYL 3-(2-BROMO-6-CHLOROPHENYL)PROPANOATE,
1261455-37-1,
SCHEMBL9954458,
XMFNGBZSFDBVGV-UHFFFAOYSA-N,
MFCD18395870,
ZINC91692049,
AKOS027330160,
AS-38412,
AX8266949,
Ethyl 3-(2'-bromo-6'-chlorophenyl)propionate,
X-2336,
Benzenepropanoic acid, 2-bromo-6-chloro-, ethyl ester,
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| Complexity | 211 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 289.971g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 291.569g/mol |
| Monoisotopic Mass | 289.971g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number