5-Nitro-2,3-dihydrobenzofuran - CAS 17403-47-3
Catalog: |
BB012976 |
Product Name: |
5-Nitro-2,3-dihydrobenzofuran |
CAS: |
17403-47-3 |
Synonyms: |
5-nitro-2,3-dihydrobenzofuran; 5-nitro-2,3-dihydro-1-benzofuran |
IUPAC Name: | 5-nitro-2,3-dihydro-1-benzofuran |
Description: | 5-Nitro-2,3-dihydrobenzofuran (CAS# 17403-47-3 ) is a useful research chemical. |
Molecular Weight: | 165.15 |
Molecular Formula: | C8H7NO3 |
Canonical SMILES: | C1COC2=C1C=C(C=C2)[N+](=O)[O-] |
InChI: | InChI=1S/C8H7NO3/c10-9(11)7-1-2-8-6(5-7)3-4-12-8/h1-2,5H,3-4H2 |
InChI Key: | TYPKKUFDAHEIOP-UHFFFAOYSA-N |
MDL: | MFCD22376562 |
LogP: | 2.05290 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-108473498-A | Pyrazolo [1,5a] pyrimidine derivatives as IRAK4 conditioning agents | 20151222 |
JP-6895439-B2 | Pyrazolo [1,5a] pyrimidine derivative as an IRAK4 regulator | 20151222 |
CN-102712649-A | Benzimidazole derivatives and pharmaceutical compositions and uses thereof | 20100202 |
EP-2532665-A1 | Benzimidazole derivatives and pharmaceutical compositions and uses thereof | 20100202 |
EP-2532665-B1 | Benzimidazole derivatives and pharmaceutical compositions and uses thereof | 20100202 |
Complexity: | 189 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 165.042593085 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 165.042593085 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 55 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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