Cas no 250790-05-7 (Benzoic acid,2-chloro-4-nitro-, 1,1-dimethylethyl ester)
250790-05-7 structure
Product Name:Benzoic acid,2-chloro-4-nitro-, 1,1-dimethylethyl ester
CAS No:250790-05-7
MF:C11H12ClNO4
MW:257.670282363892
CID:246347
PubChem ID:22593093
Update Time:2025-04-19
Benzoic acid,2-chloro-4-nitro-, 1,1-dimethylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- tert-Butyl2-chloro-4-nitrobenzoate
- Benzoic acid,2-chloro-4-nitro-, 1,1-dimethylethyl ester
- AKOS017559223
- G11050
- TERT-BUTYL 2-CHLORO-4-NITROBENZOATE
- tert-butyl 2-chloro-4-nitro-benzoate
- SCHEMBL751610
- DTXSID80626686
- 250790-05-7
- AWGXKDKZWXJTFT-UHFFFAOYSA-N
-
- MDL： MFCD08703417
- Inchi： 1S/C11H12ClNO4/c1-11(2,3)17-10(14)8-5-4-7(13(15)16)6-9(8)12/h4-6H,1-3H3
- InChI Key： AWGXKDKZWXJTFT-UHFFFAOYSA-N
- SMILES： ClC1C=C(C=CC=1C(=O)OC(C)(C)C)[N+](=O)[O-]
Computed Properties
- Exact Mass: 257.04556
- Monoisotopic Mass: 257.0454856g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 308
- 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: 3.3
- Topological Polar Surface Area: 72.1?2
Experimental Properties
- PSA: 69.44
Benzoic acid,2-chloro-4-nitro-, 1,1-dimethylethyl ester Related Literature
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1. 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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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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