Cas no 33433-95-3 ((2,3,5-trichlorophenoxy)acetic acid)
33433-95-3 structure
Product Name:(2,3,5-trichlorophenoxy)acetic acid
CAS No:33433-95-3
MF:C8H5Cl3O3
MW:255.482499837875
CID:1457889
PubChem ID:36477
Update Time:2025-04-20
(2,3,5-trichlorophenoxy)acetic acid Chemical and Physical Properties
Names and Identifiers
-
- (2,3,5-trichlorophenoxy)acetic acid
- Acetic acid, (2,3,5-trichlorophenoxy)-
- 2-(2,3,5-trichlorophenoxy)acetic acid
- DTXSID00187082
- SCHEMBL1614561
- Acetic acid, 2-(2,3,5-trichlorophenoxy)-
- 2,3,5-TRICHLOROPHENOXYACETIC ACID
- 33433-95-3
-
- Inchi： 1S/C8H5Cl3O3/c9-4-1-5(10)8(11)6(2-4)14-3-7(12)13/h1-2H,3H2,(H,12,13)
- InChI Key： GFMRARCDRIKDAV-UHFFFAOYSA-N
- SMILES： ClC1C(=CC(=CC=1OCC(=O)O)Cl)Cl
Computed Properties
- Exact Mass: 253.93055
- Monoisotopic Mass: 253.930427g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 212
- 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: 3.3
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53
(2,3,5-trichlorophenoxy)acetic acid Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
-
Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
-
Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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