Cas no 103470-83-3 (Benzeneacetic acid,2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl ester)
103470-83-3 structure
Product Name:Benzeneacetic acid,2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl ester
CAS No:103470-83-3
MF:C14H15N3O4
MW:289.286603212357
CID:236716
PubChem ID:190548
Update Time:2025-04-19
Benzeneacetic acid,2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetic acid,2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl ester
- 2-(2-methyl-5-nitroimidazol-1-yl)ethyl 2-phenylacetate
- 2-(2-methyl-5-nitro-1h-imidazol-1-yl)ethyl phenylacetate
- 2-(2-methyl-5-nitroimidazole-1-yl)ethyl phenylacetate
- AC1L4QS8
- AC1Q209J
- ACMC-20ctk5
- AG-J-50944
- AR-1C6873
- CTK4A2130
- 103470-83-3
- DTXSID90145873
- Benzeneacetic acid, 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl ester
-
- Inchi： 1S/C14H15N3O4/c1-11-15-10-13(17(19)20)16(11)7-8-21-14(18)9-12-5-3-2-4-6-12/h2-6,10H,7-9H2,1H3
- InChI Key： OSIQZATXFWLSAO-UHFFFAOYSA-N
- SMILES： O(C(CC1C=CC=CC=1)=O)CCN1C(=CN=C1C)[N+](=O)[O-]
Computed Properties
- Exact Mass: 289.10635
- Monoisotopic Mass: 289.10625597g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 21
- Rotatable Bond Count: 6
- Complexity: 366
- 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: 1.9
- Topological Polar Surface Area: 89.9?2
Experimental Properties
- PSA: 87.26
Benzeneacetic acid,2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl ester Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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