Cas no 106705-49-1 (Benzeneaceticacid, ar,ar,ar-trichloro-a-hydroxy- (9CI))
106705-49-1 structure
Product Name:Benzeneaceticacid, ar,ar,ar-trichloro-a-hydroxy- (9CI)
CAS No:106705-49-1
MF:C8H5Cl3O3
MW:255.482499837875
CID:234950
PubChem ID:184695
Update Time:2025-04-19
Benzeneaceticacid, ar,ar,ar-trichloro-a-hydroxy- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Benzeneaceticacid, ar,ar,ar-trichloro-a-hydroxy- (9CI)
- 2-hydroxy-2-(2,3,4-trichlorophenyl)acetic acid
- AC1L4FDN
- AC1Q3N2K
- AG-K-86934
- AR-1J2116
- CTK4A4721
- hydroxy(2,3,4-trichlorophenyl)acetic acid
- Benzeneacetic acid, ar,ar,ar-trichloro-alpha-hydroxy-
- 106705-49-1
- DTXSID40910093
-
- Inchi： 1S/C8H5Cl3O3/c9-4-2-1-3(5(10)6(4)11)7(12)8(13)14/h1-2,7,12H,(H,13,14)
- InChI Key： GZKWWIIDHWLQSL-UHFFFAOYSA-N
- SMILES： ClC1C(=C(C=CC=1C(C(=O)O)O)Cl)Cl
Computed Properties
- Exact Mass: 253.93055
- Monoisotopic Mass: 253.930427g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 224
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.7
- Topological Polar Surface Area: 57.5?2
Experimental Properties
- PSA: 57.53
Benzeneaceticacid, ar,ar,ar-trichloro-a-hydroxy- (9CI) Related Literature
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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