Cas no 13616-13-2 (1H-Naphth[2,3-d]imidazole-2-carboxaldehyde)
13616-13-2 structure
Product Name:1H-Naphth[2,3-d]imidazole-2-carboxaldehyde
CAS No:13616-13-2
MF:C12H8N2O
MW:196.20472240448
CID:119788
PubChem ID:45078607
Update Time:2025-04-18
1H-Naphth[2,3-d]imidazole-2-carboxaldehyde Chemical and Physical Properties
Names and Identifiers
-
- 1H-Naphth[2,3-d]imidazole-2-carboxaldehyde
- 1H-benzo[f]benzimidazole-2-carbaldehyde
- 1H-Naphth[2,3-d]imidazole-2-carboxaldehyde(8CI)
- DTXSID50663568
- 1H-NAPHTHO[2,3-D]IMIDAZOLE-2-CARBALDEHYDE
- 13616-13-2
-
- Inchi: 1S/C12H8N2O/c15-7-12-13-10-5-8-3-1-2-4-9(8)6-11(10)14-12/h1-7H,(H,13,14)
- InChI Key: DDETXIFZMCRHJB-UHFFFAOYSA-N
- SMILES: O=CC1=NC2C=C3C=CC=CC3=CC=2N1
Computed Properties
- Exact Mass: 196.06374
- Monoisotopic Mass: 196.064
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 256
- 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
- Topological Polar Surface Area: 45.8A^2
- XLogP3: 2.2
Experimental Properties
- PSA: 45.75
1H-Naphth[2,3-d]imidazole-2-carboxaldehyde Related Literature
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
13616-13-2 (1H-Naphth[2,3-d]imidazole-2-carboxaldehyde) Related Products
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