Cas no 61535-31-7 (Benzoic acid, 2-chloro-3-(phenylmethoxy)-)
61535-31-7 structure
Product Name:Benzoic acid, 2-chloro-3-(phenylmethoxy)-
CAS No:61535-31-7
MF:C14H11ClO3
MW:262.688343286514
CID:475882
PubChem ID:71394868
Update Time:2025-04-19
Benzoic acid, 2-chloro-3-(phenylmethoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2-chloro-3-(phenylmethoxy)-
- 2-chloro-3-phenylmethoxybenzoic acid
- 61535-31-7
- 3-(Benzyloxy)-2-chlorobenzoic acid
- DTXSID30816535
-
- Inchi： 1S/C14H11ClO3/c15-13-11(14(16)17)7-4-8-12(13)18-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,16,17)
- InChI Key： RBQOESPEOCALAT-UHFFFAOYSA-N
- SMILES： ClC1C(C(=O)O)=CC=CC=1OCC1C=CC=CC=1
Computed Properties
- Exact Mass: 262.03973
- Monoisotopic Mass: 262.0396719g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 276
- 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: 46.5?2
Experimental Properties
- PSA: 46.53
Benzoic acid, 2-chloro-3-(phenylmethoxy)- Related Literature
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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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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Veluru Jagadeesh babu,Sesha Vempati RSC Adv., 2015,5, 66367-66375
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