8-Bromo-3,4-dihydrobenzo[b]oxepin-5(2H)-one - CAS 141106-23-2
Catalog: |
BB009155 |
Product Name: |
8-Bromo-3,4-dihydrobenzo[b]oxepin-5(2H)-one |
CAS: |
141106-23-2 |
Synonyms: |
8-bromo-3,4-dihydro-2H-1-benzoxepin-5-one; 8-bromo-3,4-dihydro-2H-1-benzoxepin-5-one |
IUPAC Name: | 8-bromo-3,4-dihydro-2H-1-benzoxepin-5-one |
Description: | 8-Bromo-3,4-dihydrobenzo[b]oxepin-5(2H)-one (CAS# 141106-23-2) is a useful research chemical. |
Molecular Weight: | 241.08 |
Molecular Formula: | C10H9BrO2 |
Canonical SMILES: | C1CC(=O)C2=C(C=C(C=C2)Br)OC1 |
InChI: | InChI=1S/C10H9BrO2/c11-7-3-4-8-9(12)2-1-5-13-10(8)6-7/h3-4,6H,1-2,5H2 |
InChI Key: | LXKQMHNFHKVGAZ-UHFFFAOYSA-N |
Storage: | Sealed in dry, Room Temperature |
LogP: | 2.80440 |
Publication Number | Title | Priority Date |
CN-112457366-A | Fused ring compound as protein degradation agent and preparation method and application thereof | 20190906 |
AU-2018253209-A1 | Benzoazepine analogs as inhibiting agents for Bruton's tyrosine kinase | 20170414 |
CA-3058774-A1 | Benzoazepine analogs as inhibiting agents for bruton's tyrosine kinase | 20170414 |
EP-3609886-A1 | Benzoazepine analogs as inhibiting agents for bruton's tyrosine kinase | 20170414 |
JP-2020516659-A | Benzazepine analogs as inhibitors of Bruton's tyrosine kinase | 20170414 |
Complexity: | 205 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 239.97859 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 239.97859 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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