4-Chlorobenzyl acetate - CAS 5406-33-7
Catalog: |
BB028482 |
Product Name: |
4-Chlorobenzyl acetate |
CAS: |
5406-33-7 |
Synonyms: |
(4-chlorophenyl)methyl acetate |
IUPAC Name: | (4-chlorophenyl)methyl acetate |
Description: | 4-Chlorobenzyl acetate (CAS# 5406-33-7 ) is a useful research chemical. |
Molecular Weight: | 184.62 |
Molecular Formula: | C9H9ClO2 |
Canonical SMILES: | CC(=O)OCC1=CC=C(C=C1)Cl |
InChI: | InChI=1S/C9H9ClO2/c1-7(11)12-6-8-2-4-9(10)5-3-8/h2-5H,6H2,1H3 |
InChI Key: | MAGQINDMZBNWLG-UHFFFAOYSA-N |
Boiling Point: | 237.2 °C at 760 mmHg |
Density: | 1.169 g/cm3 |
MDL: | MFCD00027406 |
LogP: | 2.40310 |
Publication Number | Title | Priority Date |
US-2019327969-A1 | Herbicides | 20160323 |
US-2021127673-A1 | Herbicides | 20160323 |
WO-2017040304-A1 | Malt1 inhibitors and uses thereof | 20150828 |
EP-3341007-B1 | Malt1 inhibitors and uses thereof | 20150828 |
US-10711036-B2 | MALT1 inhibitors and uses thereof | 20150828 |
Complexity: | 151 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 184.0291072 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 184.0291072 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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