3-Methoxy-4-nitrobenzaldehyde - CAS 80410-57-7
Catalog: |
BB036498 |
Product Name: |
3-Methoxy-4-nitrobenzaldehyde |
CAS: |
80410-57-7 |
Synonyms: |
3-methoxy-4-nitrobenzaldehyde; 3-methoxy-4-nitrobenzaldehyde |
IUPAC Name: | 3-methoxy-4-nitrobenzaldehyde |
Description: | 3-Methoxy-4-nitrobenzaldehyde (CAS# 80410-57-7) is a useful research chemical. |
Molecular Weight: | 181.15 |
Molecular Formula: | C8H7NO4 |
Canonical SMILES: | COC1=C(C=CC(=C1)C=O)[N+](=O)[O-] |
InChI: | InChI=1S/C8H7NO4/c1-13-8-4-6(5-10)2-3-7(8)9(11)12/h2-5H,1H3 |
InChI Key: | WUTIWOZYHHSBBU-UHFFFAOYSA-N |
Boiling Point: | 334.8 °C at 760 mmHg |
Density: | 1.322 g/cm3 |
LogP: | 1.93910 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021188948-A1 | Mdm2 degraders and uses thereof | 20200319 |
WO-2021068866-A1 | Heterocyclic compounds as sting modulators | 20191010 |
KR-20190114910-A | Novel Sulfonamide Derivative as mutant Epidermal Growth Factor Receptor Inhibitor | 20180330 |
WO-2019190259-A1 | Novel sulfonamide derivative having inhibitory effect on epidermal growth factor receptor mutation | 20180330 |
CN-107163165-B | O-carboxymethyl-N, N-double-chain long alkylated chitosan oligosaccharide and preparation method and application thereof | 20170614 |
Complexity: | 201 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 181.03750770 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 181.03750770 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 72.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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