Methyl 5-(Aminomethyl)-2-chlorobenzoate Hydrochloride - CAS 90942-47-5
Catalog: |
BB040001 |
Product Name: |
Methyl 5-(Aminomethyl)-2-chlorobenzoate Hydrochloride |
CAS: |
90942-47-5 |
Synonyms: |
5-(aminomethyl)-2-chlorobenzoic acid methyl ester;hydrochloride; methyl 5-(aminomethyl)-2-chlorobenzoate;hydrochloride |
IUPAC Name: | methyl 5-(aminomethyl)-2-chlorobenzoate;hydrochloride |
Description: | Methyl 5-(Aminomethyl)-2-chlorobenzoate Hydrochloride (CAS# 90942-47-5) is a useful research chemical. |
Molecular Weight: | 236.10 |
Molecular Formula: | C9H11Cl2NO2 |
Canonical SMILES: | COC(=O)C1=C(C=CC(=C1)CN)Cl.Cl |
InChI: | InChI=1S/C9H10ClNO2.ClH/c1-13-9(12)7-4-6(5-11)2-3-8(7)10;/h2-4H,5,11H2,1H3;1H |
InChI Key: | RVCZOTOWWCOGCQ-UHFFFAOYSA-N |
LogP: | 3.08760 |
Publication Number | Title | Priority Date |
WO-2015059618-A1 | SUBSTITUTED PYRIMIDINE COMPOUNDS AS mPGES-1 INHIBITORS | 20131022 |
WO-2014167444-A1 | SUBSTITUTED BICYCLIC COMPOUNDS AS mPGES-1 INHIBITORS | 20130408 |
AU-2013276191-A1 | Triazolone compounds as mPGES-1 inhibitors | 20120615 |
AU-2013276191-B2 | Triazolone compounds as mPGES-1 inhibitors | 20120615 |
CA-2871007-A1 | Triazolone compounds as mpges-1 inhibitors | 20120615 |
Complexity: | 187 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 235.016684 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 235.016684 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 52.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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