7-(2-bromoacetyl)-4-hydroxy-2,3-dihydro-1,3-benzothiazol-2-one - CAS 858635-83-3
Catalog: |
BB037749 |
Product Name: |
7-(2-bromoacetyl)-4-hydroxy-2,3-dihydro-1,3-benzothiazol-2-one |
CAS: |
858635-83-3 |
Synonyms: |
7-(2-bromo-1-oxoethyl)-4-hydroxy-3H-1,3-benzothiazol-2-one; 7-(2-bromoacetyl)-4-hydroxy-3H-1,3-benzothiazol-2-one |
IUPAC Name: | 7-(2-bromoacetyl)-4-hydroxy-3H-1,3-benzothiazol-2-one |
Description: | 7-(2-bromoacetyl)-4-hydroxy-2,3-dihydro-1,3-benzothiazol-2-one (CAS# 858635-83-3 ) is a useful research chemical. |
Molecular Weight: | 288.115 |
Molecular Formula: | C9H6BrNO3S |
Canonical SMILES: | C1=CC(=C2C(=C1C(=O)CBr)SC(=O)N2)O |
InChI: | InChI=1S/C9H6BrNO3S/c10-3-6(13)4-1-2-5(12)7-8(4)15-9(14)11-7/h1-2,12H,3H2,(H,11,14) |
InChI Key: | DNNMJIACKGNLQU-UHFFFAOYSA-N |
Complexity: | 299 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 286.92518 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 286.92518 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 91.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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