tert-Butyl 5-Bromopentanoate - CAS 88987-42-2
Catalog: |
BB039295 |
Product Name: |
tert-Butyl 5-Bromopentanoate |
CAS: |
88987-42-2 |
Synonyms: |
5-bromopentanoic acid tert-butyl ester; tert-butyl 5-bromopentanoate |
IUPAC Name: | tert-butyl 5-bromopentanoate |
Description: | tert-Butyl 5-Bromopentanoate (CAS# 88987-42-2) is a reactant used in synthetic preparation of haptens for production of monoclonal antibodies for pyraclostrobin ELISA. |
Molecular Weight: | 237.13 |
Molecular Formula: | C9H17BrO2 |
Canonical SMILES: | CC(C)(C)OC(=O)CCCCBr |
InChI: | InChI=1S/C9H17BrO2/c1-9(2,3)12-8(11)6-4-5-7-10/h4-7H2,1-3H3 |
InChI Key: | UYDIIUHJHUZDME-UHFFFAOYSA-N |
LogP: | 2.89330 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112552367-A | Digoxin derivative and preparation method thereof | 20201211 |
WO-2021207291-A1 | Compounds and uses thereof | 20200406 |
WO-2021188948-A1 | Mdm2 degraders and uses thereof | 20200319 |
US-2021268115-A1 | Lipid prodrugs of neurosteroids | 20200205 |
WO-2021159021-A1 | Lipid prodrugs of neurosteroids | 20200205 |
Complexity: | 138 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 236.04119 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 236.04119 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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