Cas no 918331-05-2 (Benzoic acid, 2,5-diiodo-, (1S)-1-phenylethyl ester)
918331-05-2 structure
Product Name:Benzoic acid, 2,5-diiodo-, (1S)-1-phenylethyl ester
CAS No:918331-05-2
MF:C15H12I2O2
MW:478.063529014587
CID:777685
PubChem ID:71427521
Update Time:2025-04-19
Benzoic acid, 2,5-diiodo-, (1S)-1-phenylethyl ester Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 2,5-diiodo-, (1S)-1-phenylethyl ester
- [(1S)-1-phenylethyl] 2,5-diiodobenzoate
- DTXSID80846261
- 918331-05-2
- (1S)-1-Phenylethyl 2,5-diiodobenzoate
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- Inchi: 1S/C15H12I2O2/c1-10(11-5-3-2-4-6-11)19-15(18)13-9-12(16)7-8-14(13)17/h2-10H,1H3/t10-/m0/s1
- InChI Key: FAIQBBIBBATWCC-JTQLQIEISA-N
- SMILES: IC1C=CC(=CC=1C(=O)O[C@@H](C)C1C=CC=CC=1)I
Computed Properties
- Exact Mass: 477.89267g/mol
- Monoisotopic Mass: 477.89267g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 303
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5
- Topological Polar Surface Area: 26.3?2
Benzoic acid, 2,5-diiodo-, (1S)-1-phenylethyl ester Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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