| CAS Number | 87411-38-9 |
| Catalog Number | AG008DS3(AGN-PC-05FR93) |
| Chemical Name | Pentanoic acid, 5-(4-bromophenoxy)- |
| IUPAC Name | 5-(4-bromophenoxy)pentanoic acid |
| InChI | InChI=1S/C11H13BrO3/c12-9-4-6-10(7-5-9)15-8-2-1-3-11(13)14/h4-7H,1-3,8H2,(H,13,14) |
| InChI Key | KACNEIIGTGEGPZ-UHFFFAOYSA-N |
| MDL Number | MFCD11192930 |
| Molecular Formula | C11H13BrO3 |
| Molecular Weight | 273.1231 |
| SMILES | O=C(O)CCCCOC1=CC=C(Br)C=C1 |
| Synonyms | 5-(4-bromophenoxy)pentanoic acid,
87411-38-9,
Pentanoic acid, 5-(4-bromophenoxy)-,
AC1Q75GQ,
CTK3C4144,
DTXSID10651860,
ZINC20474260,
AKOS008118418,
MCULE-2805013633,
NE27103,
EN300-72607,
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| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.005g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.126g/mol |
| Monoisotopic Mass | 272.005g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number