Cas no 874827-35-7 (Benzoic acid, 2-[(4-iodo-1H-pyrazol-1-yl)methyl]-, methyl ester)
![Benzoic acid, 2-[(4-iodo-1H-pyrazol-1-yl)methyl]-, methyl ester structure](https://ossimg.kuujia.com/scimg/875000/874827-35-7x500.png)
874827-35-7 structure
Product Name:Benzoic acid, 2-[(4-iodo-1H-pyrazol-1-yl)methyl]-, methyl ester
CAS No:874827-35-7
MF:C12H11IN2O2
MW:342.132415056229
CID:1895430
PubChem ID:82840800
Update Time:2025-04-21
Benzoic acid, 2-[(4-iodo-1H-pyrazol-1-yl)methyl]-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2-[(4-iodo-1H-pyrazol-1-yl)methyl]-, methyl ester
- Methyl 2-[(4-iodo-1H-pyrazol-1-yl)methyl]benzoate
- 874827-35-7
- AKOS021159386
- DTXSID701231538
-
- Inchi： 1S/C12H11IN2O2/c1-17-12(16)11-5-3-2-4-9(11)7-15-8-10(13)6-14-15/h2-6,8H,7H2,1H3
- InChI Key： CEQRUSJEZOEXGQ-UHFFFAOYSA-N
- SMILES： IC1C=NN(C=1)CC1C=CC=CC=1C(=O)OC
Computed Properties
- Exact Mass: 341.98653Da
- Monoisotopic Mass: 341.98653Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 275
- 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: 2.3
- Topological Polar Surface Area: 44.1?2
Benzoic acid, 2-[(4-iodo-1H-pyrazol-1-yl)methyl]-, methyl ester Related Literature
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
874827-35-7 (Benzoic acid, 2-[(4-iodo-1H-pyrazol-1-yl)methyl]-, methyl ester) Related Products
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