5-(2-Nitrophenyl)furan-2-carboxylic Acid - CAS 29048-34-8
Catalog: |
BB020060 |
Product Name: |
5-(2-Nitrophenyl)furan-2-carboxylic Acid |
CAS: |
29048-34-8 |
Synonyms: |
5-(2-nitrophenyl)-2-furancarboxylic acid; 5-(2-nitrophenyl)furan-2-carboxylic acid |
IUPAC Name: | 5-(2-nitrophenyl)furan-2-carboxylic acid |
Description: | 5-(2-Nitrophenyl)furan-2-carboxylic Acid (CAS# 29048-34-8) is a useful research chemical compound. |
Molecular Weight: | 233.18 |
Molecular Formula: | C11H7NO5 |
Canonical SMILES: | C1=CC=C(C(=C1)C2=CC=C(O2)C(=O)O)[N+](=O)[O-] |
InChI: | InChI=1S/C11H7NO5/c13-11(14)10-6-5-9(17-10)7-3-1-2-4-8(7)12(15)16/h1-6H,(H,13,14) |
InChI Key: | XUFDYUSOQQYQRL-UHFFFAOYSA-N |
Boiling Point: | 433.4 °C at 760 mmHg |
MDL: | MFCD00274243 |
LogP: | 3.07620 |
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 |
US-2019192691-A1 | Regulated biocircuit systems | 20160411 |
CN-103768044-A | Application of active compounds for inhibiting dimerization of DJ-1 | 20140118 |
US-2016046616-A1 | Nrf2 small molecule inhibitors for cancer therapy | 20130315 |
WO-2014145642-A2 | Nrf2 small molecule inhibitors for cancer therapy | 20130315 |
WO-2014145642-A9 | Nrf2 small molecule inhibitors for cancer therapy | 20130315 |
PMID | Publication Date | Title | Journal |
16219464 | 20051215 | Metalloform-selective inhibition: synthesis and structure-activity analysis of Mn(II)-form-selective inhibitors of Escherichia coli methionine aminopeptidase | Bioorganic & medicinal chemistry letters |
Complexity: | 314 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 233.03242232 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 233.03242232 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 96.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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