Cas no 16887-76-6 (Benzoic acid, 2-bromo-,ion(1-))
16887-76-6 structure
Product Name:Benzoic acid, 2-bromo-,ion(1-)
CAS No:16887-76-6
MF:C7H4BrO2
MW:200.009461402893
CID:168445
PubChem ID:177792
Update Time:2025-04-19
Benzoic acid, 2-bromo-,ion(1-) Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2-bromo-,ion(1-)
- 2-bromobenzoate
- Benzoicacid, o-bromo-, ion(1-) (8CI)
- o-Bromobenzoate
- o-Bromobenzoate anion
- o-Bromobenzoate ion
- o-Bromobenzoic acid ion(1-)
- DTXSID40168613
- Benzoic acid, 2-bromo-, ion(1-)
- 16887-76-6
- 2-bromanylbenzoate
- A842825
-
- Inchi： 1S/C7H5BrO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)/p-1
- InChI Key： XRXMNWGCKISMOH-UHFFFAOYSA-M
- SMILES： BrC1C=CC=CC=1C(=O)[O-]
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: 2.8
- Topological Polar Surface Area: 40.1?2
Experimental Properties
- Boiling Point: 296.4°Cat760mmHg
- Flash Point: 133.1°C
- PSA: 40.13
Benzoic acid, 2-bromo-,ion(1-) Related Literature
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Aya Ismael,Troels Skrydstrup,Annette Bayer Org. Biomol. Chem. 2020 18 1754
-
Abhishek R. Tiwari,Bhalchandra M. Bhanage RSC Adv. 2015 5 57235
-
Anja C. Pauly,Patrick Theato Polym. Chem. 2012 3 1769
-
Lu Chen,Christian Bruneau,Pierre H. Dixneuf,Henri Doucet Green Chem. 2012 14 1111
-
Han Peng,Xiong Zhang,Vasiliki Papaefthimiou,Cuong Pham-Huu,Vincent Ritleng Green Chem. 2023 25 264
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