| CAS Number | 68224-01-1 |
| Catalog Number | AG005YKI(AGN-PC-05JEDF) |
| Chemical Name | 2-(2-Bromo-4-chlorophenoxymethyl)oxirane |
| IUPAC Name | 2-[(2-bromo-4-chlorophenoxy)methyl]oxirane |
| InChI | InChI=1S/C9H8BrClO2/c10-8-3-6(11)1-2-9(8)13-5-7-4-12-7/h1-3,7H,4-5H2 |
| InChI Key | UYDDEAYCMGCKPO-UHFFFAOYSA-N |
| MDL Number | MFCD09737731 |
| Molecular Formula | C9H8BrClO2 |
| Molecular Weight | 263.5156 |
| SMILES | ClC1=CC(Br)=C(OCC2OC2)C=C1 |
| Synonyms | 2-(2-bromo-4-chlorophenoxymethyl)oxirane,
68224-01-1,
Oxirane, [(2-bromo-4-chlorophenoxy)methyl]-,
2-[(2-Bromo-4-chlorophenoxy)methyl]oxirane,
AC1Q3I2B,
CTK1J2415,
DTXSID60498348,
AKOS000147721,
NE20277,
EN300-54426,
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| Complexity | 179 |
| 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 | 21.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
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