4-Butoxybenzoyl chloride - CAS 33863-86-4
Catalog: |
BB021871 |
Product Name: |
4-Butoxybenzoyl chloride |
CAS: |
33863-86-4 |
Synonyms: |
4-butoxybenzoyl chloride |
IUPAC Name: | 4-butoxybenzoyl chloride |
Description: | 4-Butoxybenzoyl chloride (CAS# 33863-86-4) is a useful research chemical. |
Molecular Weight: | 212.67 |
Molecular Formula: | C11H13ClO2 |
Canonical SMILES: | CCCCOC1=CC=C(C=C1)C(=O)Cl |
InChI: | InChI=1S/C11H13ClO2/c1-2-3-8-14-10-6-4-9(5-7-10)11(12)13/h4-7H,2-3,8H2,1H3 |
InChI Key: | KMGCTFHTBKBITO-UHFFFAOYSA-N |
Boiling Point: | 162 °C (10 torr) |
Density: | 1.122 g/cm3 |
MDL: | MFCD00000689 |
LogP: | 3.24450 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-111320564-A | Room-temperature phosphorescent material with dependent excitation wavelength as well as preparation method and application thereof | 20200108 |
WO-2020112583-A1 | Pyrrolidinone derivatives as formyl peptide 2 receptor agonists | 20181126 |
CN-113166134-A | Pyrrolidone derivatives as formyl peptide 2 receptor agonists | 20181126 |
EP-3887366-A1 | Pyrrolidinone derivatives as formyl peptide 2 receptor agonists | 20181126 |
KR-20210095897-A | Pyrrolidinone derivatives as formyl peptide 2 receptor agonists | 20181126 |
Complexity: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 212.0604073 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 212.0604073 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.6 |
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