Cas no 92492-35-8 (Benzoic acid,5-(chloromethyl)-2,4-dimethoxy-, methyl ester)
92492-35-8 structure
Product Name:Benzoic acid,5-(chloromethyl)-2,4-dimethoxy-, methyl ester
CAS No:92492-35-8
MF:C11H13ClO4
MW:244.671522855759
CID:800721
PubChem ID:53436946
Update Time:2025-04-19
Benzoic acid,5-(chloromethyl)-2,4-dimethoxy-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,5-(chloromethyl)-2,4-dimethoxy-, methyl ester
- methyl 5-(chloromethyl)-2,4-dimethoxybenzoate
- METHYL 5-CHLOROMETHYL-2,4-DIMETHOXY BENZOATE
- METHYL 5-CHLOROMETHYL-2,4-DIMETHOXYBENZOATE
- DTXSID00700972
- 92492-35-8
-
- Inchi： 1S/C11H13ClO4/c1-14-9-5-10(15-2)8(11(13)16-3)4-7(9)6-12/h4-5H,6H2,1-3H3
- InChI Key： FQQWQFICHOJCLB-UHFFFAOYSA-N
- SMILES： ClCC1C=C(C(=O)OC)C(=CC=1OC)OC
Computed Properties
- Exact Mass: 244.05
- Monoisotopic Mass: 244.05
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 234
- 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
- Topological Polar Surface Area: 44.8A^2
- XLogP3: 2.1
Benzoic acid,5-(chloromethyl)-2,4-dimethoxy-, methyl ester Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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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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