Methyl 3-(1-Bromoethyl)benzoate - CAS 50603-99-1
Catalog: |
BB027131 |
Product Name: |
Methyl 3-(1-Bromoethyl)benzoate |
CAS: |
50603-99-1 |
Synonyms: |
3-(1-bromoethyl)benzoic acid methyl ester; methyl 3-(1-bromoethyl)benzoate |
IUPAC Name: | methyl 3-(1-bromoethyl)benzoate |
Description: | Methyl 3-(1-Bromoethyl)benzoate (CAS# 50603-99-1) is a useful research chemical. |
Molecular Weight: | 243.10 |
Molecular Formula: | C10H11BrO2 |
Canonical SMILES: | CC(C1=CC=CC(=C1)C(=O)OC)Br |
InChI: | InChI=1S/C10H11BrO2/c1-7(11)8-4-3-5-9(6-8)10(12)13-2/h3-7H,1-2H3 |
InChI Key: | BCYFMMWUMUICEQ-UHFFFAOYSA-N |
Appearance: | Liquid |
LogP: | 2.92910 |
Publication Number | Title | Priority Date |
WO-2020212697-A1 | Inhibitor compounds | 20190415 |
AU-2018208538-A1 | Chemical compounds for coating of nanostructures | 20170116 |
CA-3048552-A1 | Chemical compounds for coating of nanostructures | 20170116 |
EP-3348560-A1 | Chemical compounds for coating of nanostructures | 20170116 |
EP-3568403-A1 | Chemical compounds for coating of nanostructures | 20170116 |
Complexity: | 182 |
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: | 3.4 |
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