Cas no 682804-49-5 (3-Amino-3-pentafluorophenyl-propionic acid)
682804-49-5 structure
Product Name:3-Amino-3-pentafluorophenyl-propionic acid
CAS No:682804-49-5
MF:C9H6F5NO2
MW:255.141459941864
CID:969857
PubChem ID:18667704
Update Time:2024-03-01
3-Amino-3-pentafluorophenyl-propionic acid Chemical and Physical Properties
Names and Identifiers
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- 3-AMINO-3-PENTAFLUOROPHENYL-PROPIONIC ACID
- 3-Amino-3-pentafluorophenyl-propionic acid
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- MDL: MFCD02653348
- Inchi: 1S/C9H6F5NO2/c10-5-4(2(15)1-3(16)17)6(11)8(13)9(14)7(5)12/h2H,1,15H2,(H,16,17)
- InChI Key: SNTZUOBXYKRFCW-UHFFFAOYSA-N
- SMILES: FC1C(=C(C(=C(C=1C(CC(=O)O)N)F)F)F)F
Computed Properties
- Exact Mass: 255.03186924g/mol
- Monoisotopic Mass: 255.03186924g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 277
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 63.3
- XLogP3: -1.5
3-Amino-3-pentafluorophenyl-propionic acid Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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