Cas no 864684-84-4 (Benzoic acid,3-(fluoromethoxy)-4,5-dimethoxy-, methyl ester)
864684-84-4 structure
Product Name:Benzoic acid,3-(fluoromethoxy)-4,5-dimethoxy-, methyl ester
CAS No:864684-84-4
MF:C11H13FO5
MW:244.216327428818
CID:718611
PubChem ID:17999204
Update Time:2024-03-01
Benzoic acid,3-(fluoromethoxy)-4,5-dimethoxy-, methyl ester Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid,3-(fluoromethoxy)-4,5-dimethoxy-, methyl ester
- 3-FLUOROMETHOXY-4,5-DIMETHOXY-BENZOIC ACID METHYL ESTER
- methyl 3-(fluoromethoxy)-4,5-dimethoxybenzoate
- Benzoic acid, 3-(fluoromethoxy)-4,5-dimethoxy-, methyl ester
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- Inchi： 1S/C11H13FO5/c1-14-8-4-7(11(13)16-3)5-9(17-6-12)10(8)15-2/h4-5H,6H2,1-3H3
- InChI Key： DZDGTVZPPVOEAO-UHFFFAOYSA-N
- SMILES： C(OC)(=O)C1=CC(OC)=C(OC)C(OCF)=C1
Computed Properties
- Exact Mass: 244.07500
- Monoisotopic Mass: 244.07470167g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 17
- Rotatable Bond Count: 6
- Complexity: 248
- 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: 2.1
- Topological Polar Surface Area: 54?2
Experimental Properties
- Density: 1.192±0.06 g/cm3(Predicted)
- Boiling Point: 283.2±23.0 °C(Predicted)
- PSA: 53.99000
- LogP: 1.79620
Benzoic acid,3-(fluoromethoxy)-4,5-dimethoxy-, methyl ester Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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