Cas no 123769-34-6 (Methanone,(4-bromophenyl)(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-)
123769-34-6 structure
Product Name:Methanone,(4-bromophenyl)(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-
CAS No:123769-34-6
MF:C16H13BrO3
MW:333.176624059677
CID:195084
PubChem ID:766901
Update Time:2025-04-19
Methanone,(4-bromophenyl)(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)- Chemical and Physical Properties
Names and Identifiers
-
- Methanone,(4-bromophenyl)(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-
- (4-bromophenyl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone
- 5954-09-6
- (4-Bromophenyl)(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone
- 123769-34-6
- BRN 3621353
- Oprea1_405137
- Oprea1_457672
- BIM-0021634.P001
- 2H-1,5-Benzodioxepine, 3,4-dihydro-7-(p-bromobenzoyl)-
- (4-Bromophenyl)(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanonato
- DTXSID40924594
- AKOS000605783
- Methanone, (4-bromophenyl)(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-
- CBMicro_021589
- CCG-13429
-
- Inchi： 1S/C16H13BrO3/c17-13-5-2-11(3-6-13)16(18)12-4-7-14-15(10-12)20-9-1-8-19-14/h2-7,10H,1,8-9H2
- InChI Key： KPYCKTBRONJFRV-UHFFFAOYSA-N
- SMILES： BrC1C=CC(=CC=1)C(C1C=CC2=C(C=1)OCCCO2)=O
Computed Properties
- Exact Mass: 332.00481g/mol
- Monoisotopic Mass: 332.00481g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 2
- Complexity: 339
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.2
- Topological Polar Surface Area: 35.5?2
Methanone,(4-bromophenyl)(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)- Related Literature
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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