Cas no 113187-89-6 (benzoic acid,[2-(bromomethyl)phenyl]methanol)
![benzoic acid,[2-(bromomethyl)phenyl]methanol structure](https://ossimg.kuujia.com/scimg/113500/113187-89-6x500.png)
113187-89-6 structure
Product Name:benzoic acid,[2-(bromomethyl)phenyl]methanol
CAS No:113187-89-6
MF:C15H15BrO3
MW:323.181803941727
CID:2610146
PubChem ID:71337027
Update Time:2025-04-21
benzoic acid,[2-(bromomethyl)phenyl]methanol Chemical and Physical Properties
Names and Identifiers
-
- benzoic acid,[2-(bromomethyl)phenyl]methanol
- Benzoic acid--[2-(bromomethyl)phenyl]methanol (1/1)
- DTXSID20764778
- 113187-89-6
-
- Inchi： 1S/C8H9BrO.C7H6O2/c9-5-7-3-1-2-4-8(7)6-10;8-7(9)6-4-2-1-3-5-6/h1-4,10H,5-6H2;1-5H,(H,8,9)
- InChI Key： CCZZGZUPUXHEPI-UHFFFAOYSA-N
- SMILES： BrCC1C=CC=CC=1CO.OC(C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 322.02046Da
- Monoisotopic Mass: 322.02046Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 199
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 57.5?2
benzoic acid,[2-(bromomethyl)phenyl]methanol Related Literature
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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