Methyl 4-Morpholino-2-nitrobenzoate - CAS 404010-97-5
Catalog: |
BB024489 |
Product Name: |
Methyl 4-Morpholino-2-nitrobenzoate |
CAS: |
404010-97-5 |
Synonyms: |
4-(4-morpholinyl)-2-nitrobenzoic acid methyl ester; methyl 4-morpholin-4-yl-2-nitrobenzoate |
IUPAC Name: | methyl 4-morpholin-4-yl-2-nitrobenzoate |
Description: | Methyl 4-Morpholino-2-nitrobenzoate (CAS# 404010-97-5 ) is a useful research chemical. |
Molecular Weight: | 266.25 |
Molecular Formula: | C12H14N2O5 |
Canonical SMILES: | COC(=O)C1=C(C=C(C=C1)N2CCOCC2)[N+](=O)[O-] |
InChI: | InChI=1S/C12H14N2O5/c1-18-12(15)10-3-2-9(8-11(10)14(16)17)13-4-6-19-7-5-13/h2-3,8H,4-7H2,1H3 |
InChI Key: | JIOYNIKQOOXEAA-UHFFFAOYSA-N |
LogP: | 0.00000 |
Publication Number | Title | Priority Date |
EP-1351946-A2 | Materials and methods to potentiate cancer treatment | 20000901 |
US-2002165218-A1 | Materials and methods to potentiate cancer treatment | 20000901 |
US-2008090782-A1 | Materials and methods to potentiate cancer treatment | 20000901 |
US-7179912-B2 | Materials and methods to potentiate cancer treatment | 20000901 |
US-8242115-B2 | Materials and methods to potentiate cancer treatment | 20000901 |
Complexity: | 338 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 266.09027155 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 266.09027155 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 84.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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