Ethyl 4-hydroxybenzimidate hydrochloride - CAS 54998-28-6
Catalog: |
BB028880 |
Product Name: |
Ethyl 4-hydroxybenzimidate hydrochloride |
CAS: |
54998-28-6 |
Synonyms: |
ethyl 4-hydroxybenzenecarboximidate;hydrochloride |
IUPAC Name: | ethyl 4-hydroxybenzenecarboximidate;hydrochloride |
Description: | Ethyl 4-hydroxybenzimidate hydrochloride (CAS# 54998-28-6 ) is a useful research chemical. |
Molecular Weight: | 201.65 |
Molecular Formula: | C9H12ClNO2 |
Canonical SMILES: | CCOC(=N)C1=CC=C(C=C1)O.Cl |
InChI: | InChI=1S/C9H11NO2.ClH/c1-2-12-9(10)7-3-5-8(11)6-4-7;/h3-6,10-11H,2H2,1H3;1H |
InChI Key: | VKQSYNIFQPFOQX-UHFFFAOYSA-N |
Boiling Point: | 289.3 °C at 760 mmHg |
MDL: | MFCD00013303 |
LogP: | 2.65580 |
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 |
WO-2018129008-A1 | Compounds and methods for treating bacterial infections | 20170104 |
AU-2006229672-A1 | Spiro-containing compounds and compositions as modulators of steroid hormone nuclear receptors | 20050225 |
AU-2006229672-B2 | Spiro-containing compounds and compositions as modulators of steroid hormone nuclear receptors | 20050225 |
AU-2006229672-B8 | Spiro-containing compounds and compositions as modulators of steroid hormone nuclear receptors | 20050225 |
EP-1850844-A2 | Spiro-containing compounds and compositions as modulators of steroid hormone nuclear receptors | 20050225 |
Complexity: | 151 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 201.0556563 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 201.0556563 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 53.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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