(4-Bromophenyl)(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanonato
Basic information
- CAS
123769-34-6- Standard SMILES
O=C(c1ccc(Br)cc1)c1ccc2c(c1)OCCCO2- InChIKey
KPYCKTBRONJFRV-UHFFFAOYSA-N- Molecular formula
- C16H13BrO3
- Average molar mass
- 333.18 g/mol
- Monoisotopic mass
- 332.00481
Names & identifiers
- Preferred name
- (4-Bromophenyl)(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanonato
- IUPAC
- (4-bromophenyl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone
Names & synonyms
123769-34-6DTXSID40924594(4-Bromophenyl)(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanonatoRefChem:1050394DTXCID601353432(4-Bromophenyl)(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanoneBRN 36213532H-1,5-Benzodioxepine, 3,4-dihydro-7-(p-bromobenzoyl)-Methanone, (4-bromophenyl)(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-(4-bromophenyl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanoneCBMicro_021589Oprea1_405137
Show more names
Oprea1_457672CCG-13429AKOS000605783BIM-0021634.P001ST503386312H,3H,4H-benzo[b]1,4-dioxepin-7-yl 4-bromophenyl ketone5954-09-6
Database identifiers
- CAS
123769-34-6- PubChem CID
- 766901
- DTXSID
DTXSID40924594
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 339
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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