2-Butyl-5-nitrobenzofuran - CAS 133238-87-6
Catalog: |
BB007711 |
Product Name: |
2-Butyl-5-nitrobenzofuran |
CAS: |
133238-87-6 |
Synonyms: |
2-butyl-5-nitrobenzofuran; 2-butyl-5-nitro-1-benzofuran |
IUPAC Name: | 2-butyl-5-nitro-1-benzofuran |
Description: | Dronedarone intermediate. |
Molecular Weight: | 219.24 |
Molecular Formula: | C12H13NO3 |
Canonical SMILES: | CCCCC1=CC2=C(O1)C=CC(=C2)[N+](=O)[O-] |
InChI: | InChI=1S/C12H13NO3/c1-2-3-4-11-8-9-7-10(13(14)15)5-6-12(9)16-11/h5-8H,2-4H2,1H3 |
InChI Key: | XGAJABPTUOLUAE-UHFFFAOYSA-N |
Appearance: | Bright yellow low melting solid |
Storage: | Sealed in dry, Room Temperature |
LogP: | 4.20680 |
GHS Hazard Statement: | H226 (50%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P370+P378, P403+P235, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-111393336-A | Sulfonamide compound, and metal-free catalysis construction method and application thereof | 20200309 |
CN-109970693-A | A kind of preparation method of dronedarone key intermediate | 20171228 |
CN-109384754-A | A kind of preparation method of dronedarone hydrochloride | 20170814 |
CN-109384754-B | Preparation method of dronedarone hydrochloride | 20170814 |
CN-106892886-A | A kind of preparation method of dronedarone hydrochloride | 20170413 |
Complexity: | 251 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 219.08954328 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 219.08954328 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 59 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.9 |
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Related Functional Groups
Benzofuran/Benzothiophene
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