Methyl 4-(1-Bromoethyl)benzoate - CAS 16281-97-3
Catalog: |
BB011905 |
Product Name: |
Methyl 4-(1-Bromoethyl)benzoate |
CAS: |
16281-97-3 |
Synonyms: |
4-(1-bromoethyl)benzoic acid methyl ester; methyl 4-(1-bromoethyl)benzoate |
IUPAC Name: | methyl 4-(1-bromoethyl)benzoate |
Description: | Methyl 4-(1-Bromoethyl)benzoate (CAS# 16281-97-3 ) is a useful research chemical. |
Molecular Weight: | 243.10 |
Molecular Formula: | C10H11BrO2 |
Canonical SMILES: | CC(C1=CC=C(C=C1)C(=O)OC)Br |
InChI: | InChI=1S/C10H11BrO2/c1-7(11)8-3-5-9(6-4-8)10(12)13-2/h3-7H,1-2H3 |
InChI Key: | IXZOUWPYWNKWCX-UHFFFAOYSA-N |
LogP: | 2.92910 |
Publication Number | Title | Priority Date |
WO-2021067606-A1 | Brm targeting compounds and associated methods of use | 20191001 |
WO-2020251971-A1 | Smarca degraders and uses thereof | 20190610 |
US-2019300521-A1 | Brm targeting compounds and associated methods of use | 20180401 |
US-2020038378-A1 | Brm targeting compounds and associated methods of use | 20180401 |
WO-2019195201-A1 | Brm targeting compounds and associated methods of use | 20180401 |
Complexity: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 241.99424 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 241.99424 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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