7-Bromo-2-ethylbenzoxazole - CAS 1267428-95-4
Catalog: |
BB006652 |
Product Name: |
7-Bromo-2-ethylbenzoxazole |
CAS: |
1267428-95-4 |
Synonyms: |
7-bromo-2-ethyl-1,3-benzoxazole; 7-bromo-2-ethyl-1,3-benzoxazole |
IUPAC Name: | 7-bromo-2-ethyl-1,3-benzoxazole |
Description: | 7-Bromo-2-ethylbenzoxazole (CAS# 1267428-95-4 ) 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/c1-2-8-11-7-5-3-4-6(10)9(7)12-8/h3-5H,2H2,1H3 |
InChI Key: | LFNISCIEEJVPTJ-UHFFFAOYSA-N |
LogP: | 3.15270 |
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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