6-Chloro-2-ethylbenzoxazole - CAS 1027019-12-0
Catalog: |
BB000922 |
Product Name: |
6-Chloro-2-ethylbenzoxazole |
CAS: |
1027019-12-0 |
Synonyms: |
6-chloro-2-ethyl-1,3-benzoxazole; 6-chloro-2-ethyl-1,3-benzoxazole |
IUPAC Name: | 6-chloro-2-ethyl-1,3-benzoxazole |
Description: | 6-Chloro-2-ethylbenzoxazole (CAS# 1027019-12-0) is a useful research chemical. |
Molecular Weight: | 181.62 |
Molecular Formula: | C9H8ClNO |
Canonical SMILES: | CCC1=NC2=C(O1)C=C(C=C2)Cl |
InChI: | InChI=1S/C9H8ClNO/c1-2-9-11-7-4-3-6(10)5-8(7)12-9/h3-5H,2H2,1H3 |
InChI Key: | GWVZBQGQQUJCCT-UHFFFAOYSA-N |
LogP: | 3.04360 |
Publication Number | Title | Priority Date |
US-10329304-B2 | Compounds and methods for inhibition of hedgehog signaling and phosphodiesterase | 20140912 |
US-2017190717-A1 | Compounds and Methods for Inhibition of Hedgehog Signaling and Phosphodiesterase | 20140912 |
US-2010240638-A1 | Organic Compounds and their uses | 20070220 |
US-2010204159-A1 | Organic compounds and their uses | 20060913 |
US-2007265281-A1 | Organic Compounds and Their Uses | 20060411 |
Complexity: | 165 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 181.0294416 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 181.0294416 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 26 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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