3-Methoxy-2-nitrobenzaldehyde - CAS 53055-05-3
Catalog: |
BB028027 |
Product Name: |
3-Methoxy-2-nitrobenzaldehyde |
CAS: |
53055-05-3 |
Synonyms: |
3-methoxy-2-nitrobenzaldehyde |
IUPAC Name: | 3-methoxy-2-nitrobenzaldehyde |
Description: | 3-Methoxy-2-nitrobenzaldehyde (CAS# 53055-05-3) is a useful research chemical. |
Molecular Weight: | 181.15 |
Molecular Formula: | C8H7NO4 |
Canonical SMILES: | COC1=CC=CC(=C1[N+](=O)[O-])C=O |
InChI: | InChI=1S/C8H7NO4/c1-13-7-4-2-3-6(5-10)8(7)9(11)12/h2-5H,1H3 |
InChI Key: | GDTUACILWWLIJF-UHFFFAOYSA-N |
Boiling Point: | 344.2 ℃ at 760 mmHg |
Melting Point: | 97-101 ℃ |
Purity: | 98 % |
Density: | 1.322 g/cm3 |
Appearance: | White to beige or yellow crystalline powder |
MDL: | MFCD00007135 |
LogP: | 1.93910 |
Publication Number | Title | Priority Date |
DE-102019210983-A1 | Increasing the stability of agents for treating keratin material | 20190724 |
WO-2021013420-A1 | Increasing the stability of agents for treating keratin material | 20190724 |
WO-2021011724-A1 | Tricyclic heteroaryl compounds useful as irak4 inhibitors | 20190718 |
CN-111690026-A | Avermectin aminophosphonate compound, preparation method thereof and application thereof in pesticides | 20190311 |
WO-2020051370-A1 | Discovery of novel potent inhibitors of the map3k mekk2 | 20180906 |
PMID | Publication Date | Title | Journal |
21985103 | 20111107 | Polydentate analogues of 8-hydroxyquinoline and their complexes with ruthenium | Inorganic chemistry |
Complexity: | 201 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 181.0375077 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 181.0375077 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 72.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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