Benzyl 4-bromobutanoate - CAS 126430-46-4
Catalog: |
BB006588 |
Product Name: |
Benzyl 4-bromobutanoate |
CAS: |
126430-46-4 |
Synonyms: |
4-bromobutanoic acid (phenylmethyl) ester; benzyl 4-bromobutanoate |
IUPAC Name: | benzyl 4-bromobutanoate |
Description: | Benzyl 4-bromobutanoate (CAS# 126430-46-4) is a useful research chemical. |
Molecular Weight: | 257.12 |
Molecular Formula: | C11H13BrO2 |
Canonical SMILES: | C1=CC=C(C=C1)COC(=O)CCCBr |
InChI: | InChI=1S/C11H13BrO2/c12-8-4-7-11(13)14-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2 |
InChI Key: | JJUJDJNFXYNOKI-UHFFFAOYSA-N |
Boiling Point: | 314.3 ℃ at 760 mmHg |
Density: | 1.364 g/cm3 |
LogP: | 2.90490 |
Publication Number | Title | Priority Date |
WO-2021194318-A1 | Plk1 selective degradation inducing compound | 20200327 |
CN-113214227-A | Heterocyclic compound and application thereof | 20200121 |
WO-2021127461-A1 | Methods of synthesizing 4-valyloxybutyric acid | 20191220 |
WO-2021083949-A1 | Bifunctional compounds for the treatment of cancer | 20191029 |
WO-2020113209-A1 | Pantetheine derivatives and uses thereof | 20181130 |
Complexity: | 165 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 256.00989 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 256.00989 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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