Cas no 106942-84-1 (Ethanone, 1-(3-bromo-2-methoxy-5-methylphenyl)-)
106942-84-1 structure
Product Name:Ethanone, 1-(3-bromo-2-methoxy-5-methylphenyl)-
CAS No:106942-84-1
MF:C10H11BrO2
MW:243.097142457962
CID:1182616
PubChem ID:13740406
Update Time:2025-04-20
Ethanone, 1-(3-bromo-2-methoxy-5-methylphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone, 1-(3-bromo-2-methoxy-5-methylphenyl)-
- 106942-84-1
- 1-(3-Bromo-2-methoxy-5-methylphenyl)ethan-1-one
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- Inchi： 1S/C10H11BrO2/c1-6-4-8(7(2)12)10(13-3)9(11)5-6/h4-5H,1-3H3
- InChI Key： DVANLTWUMMFYNX-UHFFFAOYSA-N
- SMILES： BrC1=CC(C)=CC(C(C)=O)=C1OC
Computed Properties
- Exact Mass: 241.99424g/mol
- Monoisotopic Mass: 241.99424g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 193
- 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: 2.6
- Topological Polar Surface Area: 26.3?2
Ethanone, 1-(3-bromo-2-methoxy-5-methylphenyl)- Related Literature
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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