Cas no 185945-91-9 (Benzamide, 5-fluoro-4-methyl-2-nitro-)
185945-91-9 structure
Product Name:Benzamide, 5-fluoro-4-methyl-2-nitro-
CAS No:185945-91-9
MF:C8H7FN2O3
MW:198.151185274124
CID:3830169
PubChem ID:85710439
Update Time:2025-04-22
Benzamide, 5-fluoro-4-methyl-2-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzamide, 5-fluoro-4-methyl-2-nitro-
- 5-Fluoro-4-methyl-2-nitrobenzamide
- 185945-91-9
-
- Inchi： 1S/C8H7FN2O3/c1-4-2-7(11(13)14)5(8(10)12)3-6(4)9/h2-3H,1H3,(H2,10,12)
- InChI Key： ONJCHCBIXVFGFU-UHFFFAOYSA-N
- SMILES： C(N)(=O)C1=CC(F)=C(C)C=C1[N+]([O-])=O
Computed Properties
- Exact Mass: 198.04407025Da
- Monoisotopic Mass: 198.04407025Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 253
- 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: 1.1
- Topological Polar Surface Area: 88.9?2
Benzamide, 5-fluoro-4-methyl-2-nitro- Related Literature
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Jason Wan Lab Chip, 2020,20, 4528-4538
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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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