Cas no 701-85-9 (N-(3-fluoro-4-methylphenyl)formamide)
701-85-9 structure
Product Name:N-(3-fluoro-4-methylphenyl)formamide
N-(3-fluoro-4-methylphenyl)formamide Chemical and Physical Properties
Names and Identifiers
-
- N-(3-fluoro-4-methylphenyl)formamide
- AC1Q6QS4
- NSC40553
- 3-Fluor-4-methyl-formanilid
- AKOS014324821
- AC1L5YDK
- N-(3-Fluoro-4-methyl-phenyl)-formamide
- AR-1J8560
- AC1Q6QS4; NSC40553; 3-Fluor-4-methyl-formanilid; AKOS014324821; AC1L5YDK; N-(3-Fluoro-4-methyl-phenyl)-formamide; AR-1J8560;
- NSC-40553
- DTXSID60220383
- 701-85-9
- 5F2Z6K76WK
- UNII-5F2Z6K76WK
- p-Formotoluidide, 3'-fluoro-
- SCHEMBL2324287
- Formamide, N-(3-fluoro-4-methylphenyl)-
- N-(3-fluoro-4-methyl-phenyl)formamide
- NSC 40553
-
- Inchi： 1S/C8H8FNO/c1-6-2-3-7(10-5-11)4-8(6)9/h2-5H,1H3,(H,10,11)
- InChI Key： YKBURFJMNZJZBE-UHFFFAOYSA-N
- SMILES： FC1C=C(C=CC=1C)NC=O
Computed Properties
- Exact Mass: 153.05904
- Monoisotopic Mass: 153.059
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 140
- 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: 1.6
- Topological Polar Surface Area: 29.1?2
Experimental Properties
- Density: 1.208
- Boiling Point: 296.8°C at 760 mmHg
- Flash Point: 133.3°C
- Refractive Index: 1.558
- PSA: 29.1
- LogP: 2.41130
N-(3-fluoro-4-methylphenyl)formamide Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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