Cas no 16887-61-9 (Benzoic acid, 3-bromo-,ion(1-))
16887-61-9 structure
Product Name:Benzoic acid, 3-bromo-,ion(1-)
CAS No:16887-61-9
MF:C7H4BrO2
MW:200.009461402893
CID:151112
PubChem ID:177791
Update Time:2025-04-19
Benzoic acid, 3-bromo-,ion(1-) Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 3-bromo-,ion(1-)
- 3-bromobenzoate
- Benzoicacid, m-bromo-, ion(1-) (8CI)
- m-Bromobenzoate
- m-Bromobenzoate ion
- m-Bromobenzoate(1-)
- DTXSID80168612
- 16887-61-9
- Benzoic acid, 3-bromo-, ion(1-)
-
- Inchi： 1S/C7H5BrO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)/p-1
- InChI Key： VOIZNVUXCQLQHS-UHFFFAOYSA-M
- SMILES： BrC1=CC=CC(C(=O)[O-])=C1
Computed Properties
- Exact Mass: 198.93942
- Monoisotopic Mass: 198.939
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 130
- 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: 3.5
- Topological Polar Surface Area: 40.1?2
Experimental Properties
- Boiling Point: 308.2°Cat760mmHg
- Flash Point: 140.2°C
- PSA: 40.13
Benzoic acid, 3-bromo-,ion(1-) Related Literature
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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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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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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