5-(2-Nitrophenyl)furfural - CAS 20000-96-8
Catalog: |
BB015438 |
Product Name: |
5-(2-Nitrophenyl)furfural |
CAS: |
20000-96-8 |
Synonyms: |
5-(2-nitrophenyl)furan-2-carbaldehyde |
IUPAC Name: | 5-(2-nitrophenyl)furan-2-carbaldehyde |
Description: | 5-(2-Nitrophenyl)furfural (CAS# 20000-96-8) is a useful research chemical. |
Molecular Weight: | 217.18 |
Molecular Formula: | C11H7NO4 |
Canonical SMILES: | C1=CC=C(C(=C1)C2=CC=C(O2)C=O)[N+](=O)[O-] |
InChI: | InChI=1S/C11H7NO4/c13-7-8-5-6-11(16-8)9-3-1-2-4-10(9)12(14)15/h1-7H |
InChI Key: | QBYRUURYXPVDAK-UHFFFAOYSA-N |
Boiling Point: | 389.5 °C at 760 mmHg 105-107 °C30 mmHg (lit.) |
Density: | 1.348 g/cm3 |
MDL: | MFCD00216586 |
LogP: | 3.19050 |
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 |
Publication Number | Title | Priority Date |
KR-20200066463-A | Benzamide derivatives as protein kinase inhibitors | 20181130 |
CN-104119303-A | Receptor compound for identifying mercury ions by virtue of colorimetry-fluorometry dual channels as well as preparation and application of receptor compound | 20140306 |
EP-3094630-A1 | Read-through compound prodrugs suppressing premature nonsense mutations | 20140116 |
US-10077260-B2 | Read-through compound prodrugs suppressing premature nonsense mutations | 20140116 |
US-10287283-B2 | Read-through compound prodrugs suppressing premature nonsense mutations | 20140116 |
Complexity: | 276 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 217.03750770 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 217.03750770 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 76 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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