Cas no 828916-47-8 (Benzaldehyde, 2-bromo-5-(dimethylamino)-)
828916-47-8 structure
Product Name:Benzaldehyde, 2-bromo-5-(dimethylamino)-
CAS No:828916-47-8
MF:C9H10BrNO
MW:228.08580160141
CID:680981
PubChem ID:53393387
Update Time:2025-04-19
Benzaldehyde, 2-bromo-5-(dimethylamino)- Chemical and Physical Properties
Names and Identifiers
-
- Benzaldehyde, 2-bromo-5-(dimethylamino)-
- 2-bromo-5-(dimethylamino)benzaldehyde
- DTXSID00693890
- 828916-47-8
- AKOS015904262
-
- Inchi： 1S/C9H10BrNO/c1-11(2)8-3-4-9(10)7(5-8)6-12/h3-6H,1-2H3
- InChI Key： GWQSBLOOKPOMIM-UHFFFAOYSA-N
- SMILES： BrC1C=CC(=CC=1C=O)N(C)C
Computed Properties
- Exact Mass: 226.99458g/mol
- Monoisotopic Mass: 226.99458g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 161
- 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: 2.2
- Topological Polar Surface Area: 20.3?2
Benzaldehyde, 2-bromo-5-(dimethylamino)- Related Literature
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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