4-Ethoxy-3-nitrobenzaldehyde - CAS 132390-61-5
Catalog: |
BB007581 |
Product Name: |
4-Ethoxy-3-nitrobenzaldehyde |
CAS: |
132390-61-5 |
Synonyms: |
4-ethoxy-3-nitrobenzaldehyde |
IUPAC Name: | 4-ethoxy-3-nitrobenzaldehyde |
Description: | 4-Ethoxy-3-nitrobenzaldehyde (CAS# 132390-61-5 ) is a useful research chemical. |
Molecular Weight: | 195.17 |
Molecular Formula: | C9H9NO4 |
Canonical SMILES: | CCOC1=C(C=C(C=C1)C=O)[N+](=O)[O-] |
InChI: | InChI=1S/C9H9NO4/c1-2-14-9-4-3-7(6-11)5-8(9)10(12)13/h3-6H,2H2,1H3 |
InChI Key: | RPJKVMCCDKVUJN-UHFFFAOYSA-N |
Melting Point: | 59-63 °C(lit.) |
Purity: | 95 % |
MDL: | MFCD02093763 |
LogP: | 2.32920 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112225673-A | Amino combretastatin derivative and application thereof | 20201113 |
WO-2019090558-A1 | 5-fluorouracil derivative, preparation method therefor, and use thereof | 20171109 |
US-2021230122-A1 | 5-fluorouracil derivatives, preparation methods and uses thereof | 20171109 |
CN-107698521-B | Preparation and application of 5-fluorouracil substituted carboxylic acid derivative | 20160323 |
WO-2014108066-A1 | Synthesis of amino-combretastatin derivatives and use as oral anti-tumour drugs | 20130111 |
Complexity: | 213 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 195.05315777 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 195.05315777 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 72.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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