Cas no 99903-54-5 (Cyclopropanecarboxylicacid, 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-bis(trifluoromethyl)-, trans-(9CI))
99903-54-5 structure
Product Name:Cyclopropanecarboxylicacid, 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-bis(trifluoromethyl)-, trans-(9CI)
CAS No:99903-54-5
MF:C9H4ClF9O2
MW:350.565493583679
CID:815059
PubChem ID:6442582
Update Time:2025-04-19
Cyclopropanecarboxylicacid, 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-bis(trifluoromethyl)-, trans-(9CI) Chemical and Physical Properties
Names and Identifiers
-
- Cyclopropanecarboxylicacid, 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-bis(trifluoromethyl)-, trans-(9CI)
- (1R,3S)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-bis(trifluoromethyl)cyclopropane-1-carboxylic acid
- 99903-54-5
- Cyclopropanecarboxylic acid, 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-bis(trifluoromethyl)-, trans-
-
- Inchi： 1S/C9H4ClF9O2/c10-3(7(11,12)13)1-2-4(5(20)21)6(2,8(14,15)16)9(17,18)19/h1-2,4H,(H,20,21)/b3-1-/t2-,4+/m1/s1
- InChI Key： MQAYEYISQXHWKS-GCLRPSRPSA-N
- SMILES： Cl/C(/C(F)(F)F)=C\[C@@H]1[C@@H](C(=O)O)C1(C(F)(F)F)C(F)(F)F
Computed Properties
- Exact Mass: 349.9756105g/mol
- Monoisotopic Mass: 349.9756105g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 11
- Heavy Atom Count: 21
- Rotatable Bond Count: 2
- Complexity: 459
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.9
- Topological Polar Surface Area: 37.3?2
Cyclopropanecarboxylicacid, 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-bis(trifluoromethyl)-, trans-(9CI) Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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