Cas no 144851-83-2 (Benzoic acid,2-amino-3-fluoro-, 1-methylethyl ester)
144851-83-2 structure
Product Name:Benzoic acid,2-amino-3-fluoro-, 1-methylethyl ester
CAS No:144851-83-2
MF:C10H12FNO2
MW:197.206186294556
CID:108908
Update Time:2024-01-24
Benzoic acid,2-amino-3-fluoro-, 1-methylethyl ester Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid,2-amino-3-fluoro-, 1-methylethyl ester
- Benzoic acid, 2-amino-3-fluoro-, 1-methylethyl ester (9CI)
- Benzoic acid, 2-amino-3-fluoro-, 1-methylethyl ester
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- Inchi： 1S/C10H12FNO2/c1-6(2)14-10(13)7-4-3-5-8(11)9(7)12/h3-6H,12H2,1-2H3
- InChI Key： RQFKDXRADLSJOA-UHFFFAOYSA-N
- SMILES： C(OC(C)C)(=O)C1=CC=CC(F)=C1N
Computed Properties
- Exact Mass: 197.08526
- Monoisotopic Mass: 197.085
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 208
- 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
- Topological Polar Surface Area: 52.3A^2
Experimental Properties
- Density: 1.179±0.06 g/cm3(Predicted)
- Boiling Point: 272.9±25.0 °C(Predicted)
- PSA: 52.32
- pka: 0.79±0.10(Predicted)
Benzoic acid,2-amino-3-fluoro-, 1-methylethyl ester Related Literature
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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