Cas no 91407-45-3 (BENZENEACETIC ACID, 5-FLUORO-2,3-DIMETHOXY-)
91407-45-3 structure
Product Name:BENZENEACETIC ACID, 5-FLUORO-2,3-DIMETHOXY-
CAS No:91407-45-3
MF:C10H11FO4
MW:214.190346956253
CID:3371649
PubChem ID:13249443
Update Time:2025-04-21
BENZENEACETIC ACID, 5-FLUORO-2,3-DIMETHOXY- Chemical and Physical Properties
Names and Identifiers
-
- BENZENEACETIC ACID, 5-FLUORO-2,3-DIMETHOXY-
- 2,3-Dimethoxy-5-fluorophenylacetic acid
- 91407-45-3
-
- Inchi： 1S/C10H11FO4/c1-14-8-5-7(11)3-6(4-9(12)13)10(8)15-2/h3,5H,4H2,1-2H3,(H,12,13)
- InChI Key： RFTXHULTODXHPJ-UHFFFAOYSA-N
- SMILES： C1(CC(O)=O)=CC(F)=CC(OC)=C1OC
Computed Properties
- Exact Mass: 214.06413699Da
- Monoisotopic Mass: 214.06413699Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 221
- 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: 1.4
- Topological Polar Surface Area: 55.8?2
BENZENEACETIC ACID, 5-FLUORO-2,3-DIMETHOXY- Related Literature
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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