3-Chloro-4-morpholinobenzoic acid - CAS 26586-20-9
Catalog: |
BB019326 |
Product Name: |
3-Chloro-4-morpholinobenzoic acid |
CAS: |
26586-20-9 |
Synonyms: |
3-chloro-4-(4-morpholinyl)benzoic acid; 3-chloro-4-morpholin-4-ylbenzoic acid |
IUPAC Name: | 3-chloro-4-morpholin-4-ylbenzoic acid |
Description: | 3-Chloro-4-morpholinobenzoic acid (CAS# 26586-20-9) is a useful research chemical. |
Molecular Weight: | 241.67 |
Molecular Formula: | C11H12ClNO3 |
Canonical SMILES: | C1COCCN1C2=C(C=C(C=C2)C(=O)O)Cl |
InChI: | InChI=1S/C11H12ClNO3/c12-9-7-8(11(14)15)1-2-10(9)13-3-5-16-6-4-13/h1-2,7H,3-6H2,(H,14,15) |
InChI Key: | GZDHVZCNDDAJPE-UHFFFAOYSA-N |
Boiling Point: | 431.102 ℃ at 760 mmHg |
Density: | 1.364 g/cm3 |
LogP: | 1.93980 |
Publication Number | Title | Priority Date |
AU-2016240033-A1 | 1-cyano-pyrrolidine compounds as USP30 inhibitors | 20150330 |
AU-2016240033-B2 | 1-cyano-pyrrolidine compounds as USP30 inhibitors | 20150330 |
CA-2976741-A1 | 1-cyano-pyrrolidine compounds as usp30 inhibitors | 20150330 |
EP-3277677-A1 | 1-cyano-pyrrolidine compounds as usp30 inhibitors | 20150330 |
JP-2018510183-A | 1-Cyano-pyrrolidine compounds as USP30 inhibitors | 20150330 |
Complexity: | 256 |
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: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 241.0505709 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 49.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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