Cas no 104575-34-0 (Benzoic acid,3,4,5-tris(acetyloxy)-, 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl ester)
104575-34-0 structure
Product Name:Benzoic acid,3,4,5-tris(acetyloxy)-, 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl ester
CAS No:104575-34-0
MF:C19H19N3O10
MW:449.368265390396
CID:175352
PubChem ID:149336
Update Time:2025-04-19
Benzoic acid,3,4,5-tris(acetyloxy)-, 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl ester Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid,3,4,5-tris(acetyloxy)-, 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl ester
- 2-(2-methyl-5-nitroimidazol-1-yl)ethyl 3,4,5-triacetyloxybenzoate
- 104575-34-0
- 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 3,4,5-tris(acetyloxy)benzoate
- Benzoic acid, 3,4,5-tris(acetyloxy)-, 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl ester
- DTXSID80146576
- CHEMBL39114
-
- Inchi： 1S/C19H19N3O10/c1-10-20-9-17(22(27)28)21(10)5-6-29-19(26)14-7-15(30-11(2)23)18(32-13(4)25)16(8-14)31-12(3)24/h7-9H,5-6H2,1-4H3
- InChI Key： QVPVOHFTLQBVHC-UHFFFAOYSA-N
- SMILES： O(C(C1C=C(C(=C(C=1)OC(C)=O)OC(C)=O)OC(C)=O)=O)CCN1C(=CN=C1C)[N+](=O)[O-]
Computed Properties
- Exact Mass: 449.10707
- Monoisotopic Mass: 449.107
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 11
- Heavy Atom Count: 32
- Rotatable Bond Count: 11
- Complexity: 713
- 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: 1.2
- Topological Polar Surface Area: 169?2
Experimental Properties
- Density: 1.43
- Boiling Point: 664.1°C at 760 mmHg
- Flash Point: 355.4°C
- Refractive Index: 1.59
- PSA: 166.16
- LogP: 2.25580
Benzoic acid,3,4,5-tris(acetyloxy)-, 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl ester Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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