6-Bromo-2,3-dihydrobenzofuran - CAS 189035-22-1
Catalog: |
BB014582 |
Product Name: |
6-Bromo-2,3-dihydrobenzofuran |
CAS: |
189035-22-1 |
Synonyms: |
6-bromo-2,3-dihydrobenzofuran; 6-bromo-2,3-dihydro-1-benzofuran |
IUPAC Name: | 6-bromo-2,3-dihydro-1-benzofuran |
Description: | 6-Bromo-2,3-dihydrobenzofuran (CAS# 189035-22-1) is used in the preparation of 2-alkylamino nicotinamide analogs as orally active ghrelin receptor (ghrelinR) inverse agonists. |
Molecular Weight: | 199.04 |
Molecular Formula: | C8H7BrO |
Canonical SMILES: | C1COC2=C1C=CC(=C2)Br |
InChI: | InChI=1S/C8H7BrO/c9-7-2-1-6-3-4-10-8(6)5-7/h1-2,5H,3-4H2 |
InChI Key: | BQWBDYZMUCSEHK-UHFFFAOYSA-N |
Boiling Point: | 239.8 ℃ at 760 mmHg |
Density: | 1.582 g/cm3 |
LogP: | 2.38400 |
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 |
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PMID | Publication Date | Title | Journal |
11594833 | 20011018 | Practical asymmetric synthesis of a selective endothelin A receptor (ETA) antagonist | Organic letters |
Complexity: | 126 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 197.96803 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 197.96803 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 9.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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