Cas no 473477-17-7 (2-Bromo-5-(hydroxymethyl)-N,N-dimethylbenzenesulfonamide)
473477-17-7 structure
Product Name:2-Bromo-5-(hydroxymethyl)-N,N-dimethylbenzenesulfonamide
CAS No:473477-17-7
MF:C9H12BrNO3S
MW:294.165480613709
CID:2112718
Update Time:2023-08-04
2-Bromo-5-(hydroxymethyl)-N,N-dimethylbenzenesulfonamide Chemical and Physical Properties
Names and Identifiers
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- 2-bromo-5-(hydroxymethyl)-N,N-dimethylBenzenesulfonamide
- 2-Bromo-5-(hydroxymethyl)-N,N-dimethylbenzenesulfonamide
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- Inchi： 1S/C9H12BrNO3S/c1-11(2)15(13,14)9-5-7(6-12)3-4-8(9)10/h3-5,12H,6H2,1-2H3
- InChI Key： OQQUANGEQCNRKE-UHFFFAOYSA-N
- SMILES： BrC1=CC=C(CO)C=C1S(N(C)C)(=O)=O
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 299
- Topological Polar Surface Area: 66
2-Bromo-5-(hydroxymethyl)-N,N-dimethylbenzenesulfonamide Related Literature
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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