Cas no 777859-75-3 (1,2-BENZENEDICARBOXYLIC ACID, 3,4-DIFLUORO-, 2-METHYL ESTER)
777859-75-3 structure
Product Name:1,2-BENZENEDICARBOXYLIC ACID, 3,4-DIFLUORO-, 2-METHYL ESTER
CAS No:777859-75-3
MF:C9H6F2O4
MW:216.138350009918
CID:3179316
PubChem ID:17989838
Update Time:2025-04-21
1,2-BENZENEDICARBOXYLIC ACID, 3,4-DIFLUORO-, 2-METHYL ESTER Chemical and Physical Properties
Names and Identifiers
-
- 1,2-BENZENEDICARBOXYLIC ACID, 3,4-DIFLUORO-, 2-METHYL ESTER
- DTXSID301249767
- SCHEMBL5468472
- 2-Methyl 3,4-difluoro-1,2-benzenedicarboxylate
- 3,4-Difluoro-phthalic acid-2-methyl ester
- OMCZSZCEOGLTBE-UHFFFAOYSA-N
- 777859-75-3
-
- Inchi： 1S/C9H6F2O4/c1-15-9(14)6-4(8(12)13)2-3-5(10)7(6)11/h2-3H,1H3,(H,12,13)
- InChI Key： OMCZSZCEOGLTBE-UHFFFAOYSA-N
- SMILES： FC1=C(C=CC(C(=O)O)=C1C(=O)OC)F
Computed Properties
- Exact Mass: 216.02341499Da
- Monoisotopic Mass: 216.02341499Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 269
- 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: 1.5
- Topological Polar Surface Area: 63.6?2
1,2-BENZENEDICARBOXYLIC ACID, 3,4-DIFLUORO-, 2-METHYL ESTER Related Literature
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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