4-Methoxyphenylacetyl chloride - CAS 4693-91-8
Catalog: |
BB026195 |
Product Name: |
4-Methoxyphenylacetyl chloride |
CAS: |
4693-91-8 |
Synonyms: |
2-(4-methoxyphenyl)acetyl chloride |
IUPAC Name: | 2-(4-methoxyphenyl)acetyl chloride |
Description: | 4-Methoxyphenylacetyl chloride (CAS# 4693-91-8) is a useful research chemical. |
Molecular Weight: | 184.62 |
Molecular Formula: | C9H9ClO2 |
Canonical SMILES: | COC1=CC=C(C=C1)CC(=O)Cl |
InChI: | InChI=1S/C9H9ClO2/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3 |
InChI Key: | CXJOONIFSVSFAD-UHFFFAOYSA-N |
Boiling Point: | 143 °C (10 torr) |
Density: | 1.208 g/cm3 |
MDL: | MFCD00075474 |
LogP: | 2.00310 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
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CN-112390751-A | Toll-like receptor-7 small molecule inhibitor and preparation method thereof | 20201105 |
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PMID | Publication Date | Title | Journal |
21581299 | 20081113 | 1-(2-Hydr-oxy-3,4-dimethoxy-phen-yl)-2-(4-methoxy-phen-yl)ethanone | Acta crystallographica. Section E, Structure reports online |
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 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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