| CAS Number | 886501-46-8 |
| Catalog Number | AG01A69I(AGN-PC-0WBZZ6) |
| Chemical Name | 4-chloro-3-(morpholin-4-yl)benzoic acid |
| IUPAC Name | 4-chloro-3-morpholin-4-ylbenzoic acid |
| InChI | InChI=1S/C11H12ClNO3/c12-9-2-1-8(11(14)15)7-10(9)13-3-5-16-6-4-13/h1-2,7H,3-6H2,(H,14,15) |
| InChI Key | DHQJUAWXZZYMHR-UHFFFAOYSA-N |
| MDL Number | MFCD06740116 |
| Molecular Formula | C11H12ClNO3 |
| Molecular Weight | 241.6709 |
| SMILES | OC(C1=CC(N2CCOCC2)=C(Cl)C=C1)=O |
| Synonyms | 4-chloro-3-morpholin-4-yl-benzoic Acid,
886501-46-8,
4-chloro-3-(morpholin-4-yl)benzoic acid,
4-Chloro-3-morpholinobenzoic acid,
4-chloro-3-morpholin-4-ylbenzoic acid,
AC1OGGGQ,
CTK7I7681,
ZINC4245084,
AKOS000302419,
MCULE-3034096326,
4-Chloro-3-(4-morpholinyl)benzoic acid,
TR-056294,
ST50530515,
CID7148428,
|
| Complexity | 256 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.671g/mol |
| Monoisotopic Mass | 241.051g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number