Cas no 73986-56-8 (2-iodophenyl 3,4,5-triiodobenzoate)
73986-56-8 structure
Product Name:2-iodophenyl 3,4,5-triiodobenzoate
CAS No:73986-56-8
MF:C13H6I4O2
MW:701.803432941437
CID:978721
PubChem ID:99381
Update Time:2025-04-19
2-iodophenyl 3,4,5-triiodobenzoate Chemical and Physical Properties
Names and Identifiers
-
- 2-iodophenyl 3,4,5-triiodobenzoate
- 3,4,5-Triiodobenzoic acid 2-iodophenyl ester
- Phenol, 2-iodo-, 3,4,5-triiodobenzoate
- 3.4.5-Trijod-benzoesaeure-(2-jod-phenylester)
- 6WLR8D6AP4
- 73986-56-8
- Benzoic acid,4,5-triiodo-, 2-iodophenyl ester
- BRN 2594834
- 3,5-Triiodobenzoic acid o-iodophenyl ester
- (2-Iodophenyl)3,4,5-triiodobenzoate
- NSC 221290
- Benzoic acid,4,5-triiodo-, o-iodophenyl ester
- Phenol, 3,4,5-triiodobenzoate
- WLN: IR BOVR CI DI EI
- DTXSID10995231
- NSC-221290
- Benzoic acid, 3,4,5-triiodo-, o-iodophenyl ester
- Benzoic acid, 3,4,5-triiodo-, 2-iodophenyl ester
- o-Iodophenyl 3,5-triiodobenzoate
- o-Iodophenyl 3,4,5-triiodobenzoate
- NSC221290
- 3,4,5-Triiodobenzoic acid o-iodophenyl ester
-
- Inchi： 1S/C13H6I4O2/c14-8-3-1-2-4-11(8)19-13(18)7-5-9(15)12(17)10(16)6-7/h1-6H
- InChI Key： IHENPGBTLOVCMW-UHFFFAOYSA-N
- SMILES： IC1C(=C(C=C(C(=O)OC2C=CC=CC=2I)C=1)I)I
Computed Properties
- Exact Mass: 719.66334
- Monoisotopic Mass: 701.6547g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 314
- 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
- XLogP3: 6.2
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 57.53
- LogP: 5.32420
2-iodophenyl 3,4,5-triiodobenzoate Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
-
Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
-
Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
-
Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
73986-56-8 (2-iodophenyl 3,4,5-triiodobenzoate) Related Products
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