Cas no 114292-88-5 (Benzoic acid,trichloro-2-hydroxy- (9CI))
114292-88-5 structure
Product Name:Benzoic acid,trichloro-2-hydroxy- (9CI)
CAS No:114292-88-5
MF:C7H3Cl3O3
MW:241.455919504166
CID:215067
PubChem ID:188857
Update Time:2025-04-19
Benzoic acid,trichloro-2-hydroxy- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,trichloro-2-hydroxy- (9CI)
- 3,4,5-trichloro-2-hydroxybenzoic acid
- 84501-65-5
- EINECS 282-985-9
- 3,4,5-Trichlorosalicylic acid
- SCHEMBL2891876
- NS00062591
- EN300-8173582
- DTXSID90921311
- 114292-88-5
- trichlorosalicylic acid
-
- Inchi： 1S/C7H3Cl3O3/c8-3-1-2(7(12)13)6(11)5(10)4(3)9/h1,11H,(H,12,13)
- InChI Key： LTBFHRWFTNPESC-UHFFFAOYSA-N
- SMILES： ClC1=C(C(=CC(C(=O)O)=C1O)Cl)Cl
Computed Properties
- Exact Mass: 272.08309
- Monoisotopic Mass: 239.914777g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 211
- 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: 3.9
- Topological Polar Surface Area: 57.5?2
Experimental Properties
- PSA: 52.54
Benzoic acid,trichloro-2-hydroxy- (9CI) Related Literature
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
-
Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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