Cas no 245039-51-4 (2-Iodopyridin-3-yl benzoate)
2-Iodopyridin-3-yl benzoate structure
Product Name:2-Iodopyridin-3-yl benzoate
CAS No:245039-51-4
MF:C12H8INO2
MW:325.101895332336
CID:5014890
Update Time:2023-08-25
2-Iodopyridin-3-yl benzoate Chemical and Physical Properties
Names and Identifiers
-
- 2-iodopyridin-3-yl benzoate
- benzoic acid-(2-iodo-[3]pyridyl ester)
- Bionet2_001512
- Oprea1_366856
- HMS1368F08
- 2-Iodopyridin-3-yl benzoate
-
- Inchi： 1S/C12H8INO2/c13-11-10(7-4-8-14-11)16-12(15)9-5-2-1-3-6-9/h1-8H
- InChI Key： ZJTIOGJLRSERNL-UHFFFAOYSA-N
- SMILES： IC1C(=CC=CN=1)OC(C1C=CC=CC=1)=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 241
- XLogP3: 2.9
- Topological Polar Surface Area: 39.2
2-Iodopyridin-3-yl benzoate Related Literature
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
-
Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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