Cas no 888030-79-3 (4-bromo-2-(hydroxymethyl)-N-methylbenzamide)
888030-79-3 structure
Product Name:4-bromo-2-(hydroxymethyl)-N-methylbenzamide
CAS No:888030-79-3
MF:C9H10BrNO2
MW:244.085201740265
CID:2123988
PubChem ID:57691048
Update Time:2025-04-21
4-bromo-2-(hydroxymethyl)-N-methylbenzamide Chemical and Physical Properties
Names and Identifiers
-
- 4-bromo-2-(hydroxymethyl)-N-methylbenzamide
- DKZCZRBKIPFTIH-UHFFFAOYSA-N
- SCHEMBL2699452
- DB-316279
- 888030-79-3
-
- Inchi： 1S/C9H10BrNO2/c1-11-9(13)8-3-2-7(10)4-6(8)5-12/h2-4,12H,5H2,1H3,(H,11,13)
- InChI Key： DKZCZRBKIPFTIH-UHFFFAOYSA-N
- SMILES： BrC1C=CC(C(NC)=O)=C(CO)C=1
Computed Properties
- Exact Mass: 242.98900
- Monoisotopic Mass: 242.98949Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 186
- 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: 1
- Topological Polar Surface Area: 49.3?2
Experimental Properties
- PSA: 49.33000
- LogP: 1.69190
4-bromo-2-(hydroxymethyl)-N-methylbenzamide 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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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
888030-79-3 (4-bromo-2-(hydroxymethyl)-N-methylbenzamide) Related Products
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