Basic information
- CAS
374911-94-1- Standard SMILES
CC(=O)c1cccc(N2COc3ccc(Br)cc3C2)c1- InChIKey
UEWLJQVWEQZRTE-UHFFFAOYSA-N- Molecular formula
- C16H14BrNO2
- Average molar mass
- 332.19 g/mol
- Monoisotopic mass
- 331.02079
Names & identifiers
- Preferred name
- 1-[3-(6-bromo-2H-1,3-benzoxazin-3(4H)-yl)phenyl]ethanone
- IUPAC
- 1-[3-(6-bromo-2,4-dihydro-1,3-benzoxazin-3-yl)phenyl]ethanone
- English name
- CHEMBRDG-BB 6518172
- Molecular formula
- C16H14BrNO2
- Molecular weight
- 332.19
Names & synonyms
374911-94-11-[3-(6-bromo-2H-1,3-benzoxazin-3(4H)-yl)phenyl]ethanone1-(3-(6-Bromo-2H-benzo[e][1,3]oxazin-3(4H)-yl)phenyl)ethanoneMFCD022353221-[3-(6-bromo-2,4-dihydro-1,3-benzoxazin-3-yl)phenyl]ethanone1-(3-(6-Bromo-2H-benzo[e][1,3]oxazin-3(4H)-yl)phenyl)ethan-1-oneDTXSID90351952STK859692AKOS001652543BS-37694DB-201453CS-0357689
Show more names
CHEMBRDG-BB 6518172Ethanone, 1-[3-(6-bromo-2H-1,3-benzoxazin-3(4H)-yl)phenyl]-1-[3-(6-bromo-2H-1,3-benzoxazin-3(4H)-yl)phenyl]ethanone(SALTDATA: FREE)
AB00109447-01F314999SR-01000236349SR-01000236349-11-[3-(6-Bromo-2H-1,3-benzoxazin-3(4H)-yl)phenyl]ethan-1-one
Database identifiers
- CAS
374911-94-1- PubChem CID
- 715080
- DTXSID
DTXSID90351952
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 362
Physicochemical properties
- Boiling point
- 490.8 · 490.8±45.0 °C(Predicted)
- Density
- 1.442 · 1.442±0.06 g/cm3(Predicted)
- pka
- 0.68 · 0.68±0.40(Predicted)
Chemistry & industry
Suppliers2 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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