Cas no 663934-18-7 (1,3-BENZODIOXOLE-4-CARBOXYLIC ACID, 2,2-DIFLUORO-6-IODO-)
663934-18-7 structure
Product Name:1,3-BENZODIOXOLE-4-CARBOXYLIC ACID, 2,2-DIFLUORO-6-IODO-
CAS No:663934-18-7
MF:C8H3F2IO4
MW:328.008301973343
CID:3186986
PubChem ID:11255907
Update Time:2025-04-21
1,3-BENZODIOXOLE-4-CARBOXYLIC ACID, 2,2-DIFLUORO-6-IODO- Chemical and Physical Properties
Names and Identifiers
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- 1,3-BENZODIOXOLE-4-CARBOXYLIC ACID, 2,2-DIFLUORO-6-IODO-
- DTXSID901211863
- SCHEMBL21569646
- IPSLQTAYIULVGD-UHFFFAOYSA-N
- 663934-18-7
- 2,2-difluoro-6-iodo-1,3-benzodioxole-4-carboxylic acid
-
- Inchi： 1S/C8H3F2IO4/c9-8(10)14-5-2-3(11)1-4(7(12)13)6(5)15-8/h1-2H,(H,12,13)
- InChI Key： IPSLQTAYIULVGD-UHFFFAOYSA-N
- SMILES： IC1C=C(C(=O)O)C2=C(C=1)OC(O2)(F)F
Computed Properties
- Exact Mass: 327.90441Da
- Monoisotopic Mass: 327.90441Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 286
- 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: 2.7
- Topological Polar Surface Area: 55.8?2
1,3-BENZODIOXOLE-4-CARBOXYLIC ACID, 2,2-DIFLUORO-6-IODO- Related Literature
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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3. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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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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