7-Bromo-2-(chloromethyl)benzoxazole - CAS 944897-71-6
Catalog: |
BB041355 |
Product Name: |
7-Bromo-2-(chloromethyl)benzoxazole |
CAS: |
944897-71-6 |
Synonyms: |
7-bromo-2-(chloromethyl)-1,3-benzoxazole; 7-bromo-2-(chloromethyl)-1,3-benzoxazole |
IUPAC Name: | 7-bromo-2-(chloromethyl)-1,3-benzoxazole |
Description: | 7-Bromo-2-(chloromethyl)benzoxazole (CAS# 944897-71-6 ) is a useful research chemical. |
Molecular Weight: | 246.49 |
Molecular Formula: | C8H5BrClNO |
Canonical SMILES: | C1=CC2=C(C(=C1)Br)OC(=N2)CCl |
InChI: | InChI=1S/C8H5BrClNO/c9-5-2-1-3-6-8(5)12-7(4-10)11-6/h1-3H,4H2 |
InChI Key: | GBOULWITLNUIFS-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
WO-2020033784-A1 | Transglutaminase 2 (tg2) inhibitors | 20180810 |
AU-2019318543-A1 | Transglutaminase 2 (TG2) inhibitors | 20180810 |
EP-3833348-A1 | Transglutaminase 2 (tg2) inhibitors | 20180810 |
KR-20210044248-A | Transglutaminase 2 (TG2) inhibitors | 20180810 |
US-2021163480-A1 | Transglutaminase 2 (tg2) inhibitors | 20180810 |
Complexity: | 169 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 244.9243 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 244.9243 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 26 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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Related Functional Groups
Benzoxazole/Benzothiazole
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