4-Ethyl-3-nitrobenzaldehyde - CAS 4748-80-5
Catalog: |
BB026317 |
Product Name: |
4-Ethyl-3-nitrobenzaldehyde |
CAS: |
4748-80-5 |
Synonyms: |
4-ethyl-3-nitrobenzaldehyde |
IUPAC Name: | 4-ethyl-3-nitrobenzaldehyde |
Description: | 4-Ethyl-3-nitrobenzaldehyde (CAS# 4748-80-5 ) is a useful research chemical. |
Molecular Weight: | 179.17 |
Molecular Formula: | C9H9NO3 |
Canonical SMILES: | CCC1=C(C=C(C=C1)C=O)[N+](=O)[O-] |
InChI: | InChI=1S/C9H9NO3/c1-2-8-4-3-7(6-11)5-9(8)10(12)13/h3-6H,2H2,1H3 |
InChI Key: | PQNRTCSIGGYXNB-UHFFFAOYSA-N |
Boiling Point: | 288.9 ℃ at 760 mmHg |
Density: | 1.212 g/cm3 |
Appearance: | Colorless to yellow liquid |
MDL: | MFCD03982635 |
LogP: | 2.49290 |
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 |
CA-2887375-A1 | Inhibitors of dna gyrase for the treatment of bacterial infections | 20121010 |
EP-2906216-A2 | Inhibitors of dna gyrase for the treatment of bacterial infections | 20121010 |
EP-2906216-B1 | Inhibitors of dna gyrase for the treatment of bacterial infections | 20121010 |
US-2015284408-A1 | Inhibitors of dna gyrase for the treatment of bacterial infections | 20121010 |
US-9643979-B2 | Inhibitors of DNA gyrase for the treatment of bacterial infections | 20121010 |
Complexity: | 200 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 179.058243149 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 179.058243149 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 62.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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