| CAS Number | 103807-54-1 |
| Catalog Number | AG007X42(AGN-PC-0OSLLY) |
| Chemical Name | Ethyl 2-(3-Bromophenyl)Propanoate |
| IUPAC Name | ethyl 2-(3-bromophenyl)propanoate |
| InChI | InChI=1S/C11H13BrO2/c1-3-14-11(13)8(2)9-5-4-6-10(12)7-9/h4-8H,3H2,1-2H3 |
| InChI Key | BUNIVTOYIVFKSP-UHFFFAOYSA-N |
| MDL Number | MFCD18908975 |
| Molecular Formula | C11H13BrO2 |
| Molecular Weight | 257.1237 |
| SMILES | CCOC(=O)C(c1cccc(c1)Br)C |
| Synonyms | Ethyl 2-(3-bromophenyl)propanoate,
103807-54-1,
SCHEMBL11189555,
CTK8C4085,
DTXSID70544885,
0907AA,
ANW-71032,
TC-159777,
C11H13BrO2,
Ethyl2-(3-bromophenyl)propanoate,
|
| Complexity | 194 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.127g/mol |
| Monoisotopic Mass | 256.01g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number