Cas no 77234-81-2 (2-(1H-imidazol-1-yl)-1-(4-nitrophenyl)ethanol hydrochloride)
77234-81-2 structure
Product Name:2-(1H-imidazol-1-yl)-1-(4-nitrophenyl)ethanol hydrochloride
CAS No:77234-81-2
MF:C11H12ClN3O3
MW:269.684281349182
CID:1783896
PubChem ID:3059781
Update Time:2025-04-21
2-(1H-imidazol-1-yl)-1-(4-nitrophenyl)ethanol hydrochloride Chemical and Physical Properties
Names and Identifiers
-
- 2-(1H-imidazol-1-yl)-1-(4-nitrophenyl)ethanol hydrochloride
- 2-imidazol-1-yl-1-(4-nitrophenyl)ethanol,hydrochloride
- Imidazole-1-ethanol, alpha-(p-nitrophenyl)-, monohydrochloride
- 77234-81-2
- CHEMBL540853
- DTXSID20998470
- 2-(1H-Imidazol-1-yl)-1-(4-nitrophenyl)ethan-1-ol--hydrogen chloride (1/1)
- N-(alpha-Hydroxy-4-nitrophenethyl)imidazole hydrochloride
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- Inchi： 1S/C11H11N3O3.ClH/c15-11(7-13-6-5-12-8-13)9-1-3-10(4-2-9)14(16)17;/h1-6,8,11,15H,7H2;1H
- InChI Key： XFKIEONAYFTNAI-UHFFFAOYSA-N
- SMILES： Cl.OC(C1C=CC(=CC=1)[N+](=O)[O-])CN1C=NC=C1
Computed Properties
- Exact Mass: 269.0567189g/mol
- Monoisotopic Mass: 269.0567189g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 261
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 83.9?2
2-(1H-imidazol-1-yl)-1-(4-nitrophenyl)ethanol hydrochloride Related Literature
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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