4-Methoxy-3-nitrobenzaldehyde - CAS 31680-08-7
Catalog: |
BB021021 |
Product Name: |
4-Methoxy-3-nitrobenzaldehyde |
CAS: |
31680-08-7 |
Synonyms: |
4-methoxy-3-nitrobenzaldehyde |
IUPAC Name: | 4-methoxy-3-nitrobenzaldehyde |
Description: | 4-Methoxy-3-nitrobenzaldehyde (CAS# 31680-08-7) is a useful research chemical. |
Molecular Weight: | 181.15 |
Molecular Formula: | C8H7NO4 |
Canonical SMILES: | COC1=C(C=C(C=C1)C=O)[N+](=O)[O-] |
InChI: | InChI=1S/C8H7NO4/c1-13-8-3-2-6(5-10)4-7(8)9(11)12/h2-5H,1H3 |
InChI Key: | YTCRQCGRYCKYNO-UHFFFAOYSA-N |
Boiling Point: | 334.8 °C at 760 mmHg |
Melting Point: | 97-100 °C |
Purity: | 95 % |
Density: | 1.322 g/cm3 |
Appearance: | White to yellow powder, crystals or crystalline powder |
MDL: | MFCD00126498 |
LogP: | 1.93910 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
12570374 | 20030213 | Antineoplastic agents. 487. Synthesis and biological evaluation of the antineoplastic agent 3,4-methylenedioxy-5,4'-dimethoxy-3'-amino-Z-stilbene and derived amino acid amides | Journal of medicinal chemistry |
Complexity: | 201 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 181.03750770 |
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: | 1.3 |
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