Methyl 3-(Hydroxymethyl)-5-nitrobenzoate - CAS 53732-08-4
Catalog: |
BB028340 |
Product Name: |
Methyl 3-(Hydroxymethyl)-5-nitrobenzoate |
CAS: |
53732-08-4 |
Synonyms: |
3-(hydroxymethyl)-5-nitrobenzoic acid methyl ester; methyl 3-(hydroxymethyl)-5-nitrobenzoate |
IUPAC Name: | methyl 3-(hydroxymethyl)-5-nitrobenzoate |
Description: | Methyl 3-(Hydroxymethyl)-5-nitrobenzoate (CAS# 53732-08-4) is a useful research chemical. |
Molecular Weight: | 211.17 |
Molecular Formula: | C9H9NO5 |
Canonical SMILES: | COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])CO |
InChI: | InChI=1S/C9H9NO5/c1-15-9(12)7-2-6(5-11)3-8(4-7)10(13)14/h2-4,11H,5H2,1H3 |
InChI Key: | NNMLFVLQJJIINL-UHFFFAOYSA-N |
LogP: | 1.39690 |
Publication Number | Title | Priority Date |
AU-2014369449-A1 | Urea derivatives useful as kinase inhibitors | 20131220 |
CA-2934199-A1 | Urea derivatives useful as kinase inhibitors | 20131220 |
EP-3083604-A1 | Urea derivatives useful as kinase inhibitors | 20131220 |
US-2016318958-A1 | Urea derivatives useful as kinase inhibitors | 20131220 |
US-9890185-B2 | Urea derivatives useful as kinase inhibitors | 20131220 |
Complexity: | 249 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 211.04807239 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 211.04807239 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 92.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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