4-Bromo-2-morpholinobenzoic Acid - CAS 1099687-03-2
Catalog: |
BB002576 |
Product Name: |
4-Bromo-2-morpholinobenzoic Acid |
CAS: |
1099687-03-2 |
Synonyms: |
4-bromo-2-(4-morpholinyl)benzoic acid; 4-bromo-2-morpholin-4-ylbenzoic acid |
IUPAC Name: | 4-bromo-2-morpholin-4-ylbenzoic acid |
Description: | 4-Bromo-2-morpholinobenzoic Acid (CAS# 1099687-03-2) is a useful research chemical. |
Molecular Weight: | 286.12 |
Molecular Formula: | C11H12BrNO3 |
Canonical SMILES: | C1COCCN1C2=C(C=CC(=C2)Br)C(=O)O |
InChI: | InChI=1S/C11H12BrNO3/c12-8-1-2-9(11(14)15)10(7-8)13-3-5-16-6-4-13/h1-2,7H,3-6H2,(H,14,15) |
InChI Key: | FYELNCRQYNFNFO-UHFFFAOYSA-N |
Boiling Point: | 437.844 °C at 760 mmHg |
Density: | 1.577 g/cm3 |
Storage: | Sealed in dry, 2-8 °C |
LogP: | 2.04890 |
Publication Number | Title | Priority Date |
AU-2013240612-A1 | Bicyclic heterocyclic derivatives as MNK1 and MNK2 modulators and uses thereof | 20120330 |
AU-2013240612-B2 | Bicyclic heterocyclic derivatives as MNK1 and MNK2 modulators and uses thereof | 20120330 |
AU-2017219039-A1 | Bicyclic heteroaryl derivatives as MNK1 and MNK2 modulators and uses thereof | 20120330 |
CN-104350055-A | Bicyclic heterocyclic derivatives as MNK1 and MNK2 modulators and uses thereof | 20120330 |
EP-2831079-A1 | Bicyclic heterocyclic derivatives as mnk1 and mnk2 modulators and uses thereof | 20120330 |
Complexity: | 256 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 285.00006 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 285.00006 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 49.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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