Ethyl 3-chloro-4-hydroxybenzoate - CAS 16357-41-8
Catalog: |
BB012015 |
Product Name: |
Ethyl 3-chloro-4-hydroxybenzoate |
CAS: |
16357-41-8 |
Synonyms: |
ethyl 3-chloro-4-hydroxybenzoate |
IUPAC Name: | ethyl 3-chloro-4-hydroxybenzoate |
Description: | Ethyl 3-chloro-4-hydroxybenzoate (CAS# 16357-41-8) is a useful research chemical. |
Molecular Weight: | 200.62 |
Molecular Formula: | C9H9ClO3 |
Canonical SMILES: | CCOC(=O)C1=CC(=C(C=C1)O)Cl |
InChI: | InChI=1S/C9H9ClO3/c1-2-13-9(12)6-3-4-8(11)7(10)5-6/h3-5,11H,2H2,1H3 |
InChI Key: | QBOWIPYEPOVPGR-UHFFFAOYSA-N |
Boiling Point: | 298.967 °C at 760 mmHg |
Density: | 1.301 g/cm3 |
MDL: | MFCD05664241 |
LogP: | 2.22230 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2021171883-A1 | Antiviral wiper | 20180829 |
WO-2019112024-A1 | Pyrrolidine compound | 20171208 |
EP-3459941-A1 | Pyrrolidine derivative | 20160722 |
JP-WO2018016547-A1 | Pyrrolidine derivative | 20160722 |
TW-201808935-A | Pyrrolidine derivative | 20160722 |
Complexity: | 184 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 200.0240218 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 200.0240218 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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