Ethyl 4-(2-chloroacetamido)benzoate - CAS 26226-72-2
Catalog: |
BB019203 |
Product Name: |
Ethyl 4-(2-chloroacetamido)benzoate |
CAS: |
26226-72-2 |
Synonyms: |
ethyl 4-[(2-chloroacetyl)amino]benzoate |
IUPAC Name: | ethyl 4-[(2-chloroacetyl)amino]benzoate |
Description: | Ethyl 4-(2-chloroacetamido)benzoate (CAS# 26226-72-2) is a useful research chemical. |
Molecular Weight: | 241.67 |
Molecular Formula: | C11H12ClNO3 |
Canonical SMILES: | CCOC(=O)C1=CC=C(C=C1)NC(=O)CCl |
InChI: | InChI=1S/C11H12ClNO3/c1-2-16-11(15)8-3-5-9(6-4-8)13-10(14)7-12/h3-6H,2,7H2,1H3,(H,13,14) |
InChI Key: | ZVRJEYAQESBSSH-UHFFFAOYSA-N |
Boiling Point: | 421.1 °C at 760 mmHg |
Density: | 1.283 g/cm3 |
MDL: | MFCD00018909 |
LogP: | 2.11360 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2019290778-A1 | Methods and compounds for targeted autophagy | 20180323 |
CN-110996939-A | Compositions for use in methods of treating cutaneous leishmaniasis | 20170803 |
EP-3661495-A1 | Compositions for use for treating cutaneous leishmaniasis | 20170803 |
US-2020155503-A1 | Compositions for use for treating cutaneous leishmaniasis | 20170803 |
WO-2019025606-A1 | COMPOSITIONS FOR USE IN THE TREATMENT OF SKIN LEHYMANIOSIS | 20170803 |
Complexity: | 250 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 241.0505709 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 241.0505709 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 55.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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