| CAS Number | 157245-87-9 |
| Catalog Number | AG001PBN(AGN-PC-03FZ56) |
| Chemical Name | Ethyl 4-(4-bromophenoxy)butanoate |
| IUPAC Name | ethyl 4-(4-bromophenoxy)butanoate |
| InChI | InChI=1S/C12H15BrO3/c1-2-15-12(14)4-3-9-16-11-7-5-10(13)6-8-11/h5-8H,2-4,9H2,1H3 |
| InChI Key | QYSNTPAUIDBKKV-UHFFFAOYSA-N |
| MDL Number | MFCD22381258 |
| Molecular Formula | C12H15BrO3 |
| Molecular Weight | 287.1497 |
| SMILES | CCOC(=O)CCCOC1=CC=C(Br)C=C1 |
| Synonyms | ethyl 4-(4-bromophenoxy)butanoate,
157245-87-9,
Butanoic acid, 4-(4-bromophenoxy)-, ethyl ester,
SCHEMBL1623579,
KS-00000TQO,
QYSNTPAUIDBKKV-UHFFFAOYSA-N,
MFCD22381258,
ZINC75914314,
AKOS017265147,
DA-43944,
DS-19333,
CS-0059806,
FT-0704085,
4-(4-bromo-phenoxy)-butyric acid ethyl ester,
ACN-040569,
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| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 286.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 287.153g/mol |
| Monoisotopic Mass | 286.02g/mol |
| Rotatable Bond Count | 7 |
| 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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Hazard Class
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Hazard statements
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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