5-Bromo-2-ethylbenzoxazole - CAS 938458-80-1
Catalog: |
BB041099 |
Product Name: |
5-Bromo-2-ethylbenzoxazole |
CAS: |
938458-80-1 |
Synonyms: |
5-bromo-2-ethyl-1,3-benzoxazole; 5-bromo-2-ethyl-1,3-benzoxazole |
IUPAC Name: | 5-bromo-2-ethyl-1,3-benzoxazole |
Description: | 5-Bromo-2-ethylbenzoxazole (CAS# 938458-80-1) is a useful research chemical. |
Molecular Weight: | 226.07 |
Molecular Formula: | C9H8BrNO |
Canonical SMILES: | CCC1=NC2=C(O1)C=CC(=C2)Br |
InChI: | InChI=1S/C9H8BrNO/c1-2-9-11-7-5-6(10)3-4-8(7)12-9/h3-5H,2H2,1H3 |
InChI Key: | FEFKLDDJMPFJHS-UHFFFAOYSA-N |
Boiling Point: | 277.9 ℃ at 760 mmHg |
Density: | 1.521 g/cm3 |
LogP: | 3.15270 |
Publication Number | Title | Priority Date |
US-2016185774-A1 | Anti-Infective Compounds | 20130802 |
TW-201329067-A | Urea compound as a GKA activator | 20111208 |
JP-2004262808-A | Method for producing benzoxazole compound | 20030228 |
Complexity: | 165 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 224.97893 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 224.97893 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 26 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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Related Functional Groups
Benzoxazole/Benzothiazole
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