Cas no 101191-06-4 (Benzoic acid,3,6-dichloro-2-methoxy-, (3-chlorophenyl)methyl ester)
101191-06-4 structure
Product Name:Benzoic acid,3,6-dichloro-2-methoxy-, (3-chlorophenyl)methyl ester
CAS No:101191-06-4
MF:C15H11Cl3O3
MW:345.605041742325
CID:208183
PubChem ID:180944
Update Time:2025-04-19
Benzoic acid,3,6-dichloro-2-methoxy-, (3-chlorophenyl)methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,3,6-dichloro-2-methoxy-, (3-chlorophenyl)methyl ester
- (3-chlorophenyl)methyl 3,6-dichloro-2-methoxybenzoate
- AKOS040754312
- V2307
- V 2307
- 101191-06-4
- DTXSID80143767
- SCHEMBL10862855
- Benzoic acid, 3,6-dichloro-2-methoxy-, (3-chlorophenyl)methyl ester
-
- Inchi： 1S/C15H11Cl3O3/c1-20-14-12(18)6-5-11(17)13(14)15(19)21-8-9-3-2-4-10(16)7-9/h2-7H,8H2,1H3
- InChI Key： TYIUNGCDRSSNIO-UHFFFAOYSA-N
- SMILES： ClC1=CC=C(C(=C1C(=O)OCC1C=CC=C(C=1)Cl)OC)Cl
Computed Properties
- Exact Mass: 343.97753
- Monoisotopic Mass: 343.977
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 5
- Complexity: 353
- 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: 5.1
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- Density: 1.394
- Boiling Point: 451.6°C at 760 mmHg
- Flash Point: 176.1°C
- Refractive Index: 1.591
- PSA: 35.53
- LogP: 5.01240
Benzoic acid,3,6-dichloro-2-methoxy-, (3-chlorophenyl)methyl ester Related Literature
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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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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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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