Cas no 932373-71-2 (Benzeneacetic acid, 2,3-difluoro-4-nitro-)
932373-71-2 structure
Product Name:Benzeneacetic acid, 2,3-difluoro-4-nitro-
CAS No:932373-71-2
MF:C8H5F2NO4
MW:217.126409292221
CID:5689669
Update Time:2023-10-12
Benzeneacetic acid, 2,3-difluoro-4-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetic acid, 2,3-difluoro-4-nitro-
-
- Inchi： 1S/C8H5F2NO4/c9-7-4(3-6(12)13)1-2-5(8(7)10)11(14)15/h1-2H,3H2,(H,12,13)
- InChI Key： JDQKXSGSNQPPJG-UHFFFAOYSA-N
- SMILES： C1(CC(O)=O)=CC=C([N+]([O-])=O)C(F)=C1F
Computed Properties
- Exact Mass: 217.019
- Monoisotopic Mass: 217.019
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 268
- 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
Experimental Properties
- Density: 1.583±0.06 g/cm3(Predicted)
- Boiling Point: 385.8±37.0 °C(Predicted)
- pka: 3.38±0.10(Predicted)
Benzeneacetic acid, 2,3-difluoro-4-nitro- Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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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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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
932373-71-2 (Benzeneacetic acid, 2,3-difluoro-4-nitro-) Related Products
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