Cas no 921620-77-1 (3-Formyl-2-iodobenzoic acid)
3-Formyl-2-iodobenzoic acid structure
Product Name:3-Formyl-2-iodobenzoic acid
CAS No:921620-77-1
MF:C8H5IO3
MW:276.027974843979
CID:743839
Update Time:2023-08-03
3-Formyl-2-iodobenzoic acid Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 3-formyl-2-iodo-
- 3-formyl-2-iodobenzoic acid
- 3-Formyl-2-iodobenzoic acid
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- Inchi: 1S/C8H5IO3/c9-7-5(4-10)2-1-3-6(7)8(11)12/h1-4H,(H,11,12)
- InChI Key: YISUSKYRZNWKLO-UHFFFAOYSA-N
- SMILES: IC1C(C=O)=CC=CC=1C(=O)O
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 193
- Topological Polar Surface Area: 54.4
3-Formyl-2-iodobenzoic acid Related Literature
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Dongjia Han,Bing Xue,Juan Du,Tomohiro Miyatake,Hitoshi Tamiaki,Xin Xing,Wei Yuan,Yanyan Li Phys. Chem. Chem. Phys., 2016,18, 24252-24260
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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