Cas no 1968-71-4 (Methyl 2-bromo-3,4,5-trimethoxybenzoate)
1968-71-4 structure
Product Name:Methyl 2-bromo-3,4,5-trimethoxybenzoate
CAS No:1968-71-4
MF:C11H13BrO5
MW:305.121923208237
CID:2619991
PubChem ID:4073175
Update Time:2025-04-21
Methyl 2-bromo-3,4,5-trimethoxybenzoate Chemical and Physical Properties
Names and Identifiers
-
- SCHEMBL21635979
- AKOS024324764
- 1968-71-4
- methyl 2-bromo-3,4,5-trimethoxybenzoate
- Methyl 2-bromo-3,4,5-trimethoxybenzoate
-
- Inchi： 1S/C11H13BrO5/c1-14-7-5-6(11(13)17-4)8(12)10(16-3)9(7)15-2/h5H,1-4H3
- InChI Key： ZEOHPLFQOMVEDD-UHFFFAOYSA-N
- SMILES： BrC1=C(C(=O)OC)C=C(C(=C1OC)OC)OC
Computed Properties
- Exact Mass: 303.99464Da
- Monoisotopic Mass: 303.99464Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 5
- Complexity: 260
- 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: 2.4
- Topological Polar Surface Area: 54?2
Methyl 2-bromo-3,4,5-trimethoxybenzoate Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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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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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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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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