8-(Bromoacetyl)-6-(phenylmethoxy)-2H-1,4-benzoxazin-3(4H)-one - CAS 926319-53-1
Catalog: |
BB072372 |
Product Name: |
8-(Bromoacetyl)-6-(phenylmethoxy)-2H-1,4-benzoxazin-3(4H)-one |
CAS: |
926319-53-1 |
Synonyms: |
6-(Benzyloxy)-8-(2-bromoacetyl)-2H-benzo[b][1,4]oxazin-3(4H)-one; 8-(bromoacetyl)-6-(phenylmethoxy)-2H-1,4-benzoxazin-3(4H)-one; 8-(2-bromoacetyl)-6-phenylmethoxy-4H-1,4-benzoxazin-3-one |
IUPAC Name: | 8-(2-bromoacetyl)-6-phenylmethoxy-4H-1,4-benzoxazin-3-one |
Molecular Weight: | 376.2 |
Molecular Formula: | C17H14BrNO4 |
Canonical SMILES: | C1C(=O)NC2=CC(=CC(=C2O1)C(=O)CBr)OCC3=CC=CC=C3 |
InChI: | InChI=1S/C17H14BrNO4/c18-8-15(20)13-6-12(22-9-11-4-2-1-3-5-11)7-14-17(13)23-10-16(21)19-14/h1-7H,8-10H2,(H,19,21) |
InChI Key: | BSFCOXSPKRDYSL-UHFFFAOYSA-N |
Solubility: | Chloroform, DCM, Methanol |
Appearance: | Yellow Beige Solid |
References: | Bouyssou, T., et al. Bioorg. Med. Chem. Lett., 20, 1410 (2010). |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 438 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 375.01062 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 375.01062 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 64.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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