Cas no 123401-18-3 (2-Fluoro-5-methoxycarbonyloxy-4-methylnitrobenzene)
123401-18-3 structure
Product Name:2-Fluoro-5-methoxycarbonyloxy-4-methylnitrobenzene
CAS No:123401-18-3
MF:C9H8FNO5
MW:229.161926269531
CID:2901784
PubChem ID:14421619
Update Time:2025-04-21
2-Fluoro-5-methoxycarbonyloxy-4-methylnitrobenzene Chemical and Physical Properties
Names and Identifiers
-
- 123401-18-3
- PTXLLIWPYYEKGR-UHFFFAOYSA-N
- 2-fluoro-5-methoxycarbonyloxy-4-methylnitrobenzene
- 4-Fluoro-2-methyl-5-nitrophenyl methyl carbonate
- carbonic acid 4-fluoro-2-methyl-5-nitrophenyl ester methyl ester
- DB-120567
- (4-fluoro-2-methyl-5-nitrophenyl) methyl carbonate
- SCHEMBL1098698
- 2-Fluoro-5-methoxycarbonyloxy-4-methylnitrobenzene
-
- Inchi： 1S/C9H8FNO5/c1-5-3-6(10)7(11(13)14)4-8(5)16-9(12)15-2/h3-4H,1-2H3
- InChI Key： PTXLLIWPYYEKGR-UHFFFAOYSA-N
- SMILES： FC1C(=CC(=C(C)C=1)OC(=O)OC)[N+](=O)[O-]
Computed Properties
- Exact Mass: 229.03865052Da
- Monoisotopic Mass: 229.03865052Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 280
- 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: 2.4
- Topological Polar Surface Area: 81.4?2
2-Fluoro-5-methoxycarbonyloxy-4-methylnitrobenzene Related Literature
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
123401-18-3 (2-Fluoro-5-methoxycarbonyloxy-4-methylnitrobenzene) Related Products
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