5-Chloro-2-(hydroxymethyl)benzofuran - CAS 235082-69-6
Catalog: |
BB018081 |
Product Name: |
5-Chloro-2-(hydroxymethyl)benzofuran |
CAS: |
235082-69-6 |
Synonyms: |
(5-chloro-2-benzofuranyl)methanol; (5-chloro-1-benzofuran-2-yl)methanol |
IUPAC Name: | (5-chloro-1-benzofuran-2-yl)methanol |
Description: | 5-Chloro-2-(hydroxymethyl)benzofuran (CAS# 235082-69-6 ) is a useful research chemical. |
Molecular Weight: | 182.60 |
Molecular Formula: | C9H7ClO2 |
Canonical SMILES: | C1=CC2=C(C=C1Cl)C=C(O2)CO |
InChI: | InChI=1S/C9H7ClO2/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-4,11H,5H2 |
InChI Key: | SJJHGEDUVMVBOA-UHFFFAOYSA-N |
LogP: | 2.57850 |
Publication Number | Title | Priority Date |
AU-2013241050-A1 | Triazinone compound and T-type calcium channel inhibitor | 20120330 |
AU-2013241050-B2 | Triazinone compound and T-type calcium channel inhibitor | 20120330 |
CA-2869127-C | Triazinone compound and t-type calcium channel inhibitor | 20120330 |
DK-2832728-T3 | Triazinone connection and type of t-calcium channel inhibitors | 20120330 |
EP-2832728-A1 | Triazinone compound and t-type calcium channel inhibitor | 20120330 |
Complexity: | 163 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 182.0134572 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 182.0134572 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 33.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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