Cas no 80761-36-0 (1H-Benzimidazole,2-(ethoxymethyl)-)
80761-36-0 structure
Product Name:1H-Benzimidazole,2-(ethoxymethyl)-
CAS No:80761-36-0
MF:C10H12N2O
MW:176.215082168579
CID:707808
Update Time:2024-02-04
1H-Benzimidazole,2-(ethoxymethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Benzimidazole,2-(ethoxymethyl)-
- 1H-Benzimidazole,2-(ethoxymethyl)-(9CI)
- 1H-Benzimidazole, 2-(ethoxymethyl)-
-
- Inchi： 1S/C10H12N2O/c1-2-13-7-10-11-8-5-3-4-6-9(8)12-10/h3-6H,2,7H2,1H3,(H,11,12)
- InChI Key： VVJGFXIWZSDXFT-UHFFFAOYSA-N
- SMILES： C1(COCC)NC2=CC=CC=C2N=1
Computed Properties
- Exact Mass: 176.095
- Monoisotopic Mass: 176.095
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 163
- 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: 1.8
1H-Benzimidazole,2-(ethoxymethyl)- Related Literature
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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