Cas no 336818-33-8 (tert-Butyl 2,6-dichloro-4-nitrobenzoate)
336818-33-8 structure
Product Name:tert-Butyl 2,6-dichloro-4-nitrobenzoate
CAS No:336818-33-8
MF:C11H11Cl2NO4
MW:292.115341424942
CID:2678935
PubChem ID:20786334
Update Time:2025-04-21
tert-Butyl 2,6-dichloro-4-nitrobenzoate Chemical and Physical Properties
Names and Identifiers
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- CID 20786334
- tert-Butyl 2,6-dichloro-4-nitrobenzoate
- tert-Butyl2,6-dichloro-4-nitrobenzoate
- SCHEMBL14254822
- 336818-33-8
- 2,6-Dichloro-4-nitro-benzoic acid tert-butyl ester
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- Inchi： 1S/C11H11Cl2NO4/c1-11(2,3)18-10(15)9-7(12)4-6(14(16)17)5-8(9)13/h4-5H,1-3H3
- InChI Key： IJMZCHAISLSRFI-UHFFFAOYSA-N
- SMILES： ClC1C=C(C=C(C=1C(=O)OC(C)(C)C)Cl)[N+](=O)[O-]
Computed Properties
- Exact Mass: 291.0065132Da
- Monoisotopic Mass: 291.0065132Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 325
- 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: 3.8
- Topological Polar Surface Area: 72.1?2
tert-Butyl 2,6-dichloro-4-nitrobenzoate Related Literature
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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4. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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