Cas no 313500-60-6 (1H-Benzimidazole-1-carboxaldehyde,2,3-dihydro-2-oxo-)
313500-60-6 structure
Product Name:1H-Benzimidazole-1-carboxaldehyde,2,3-dihydro-2-oxo-
CAS No:313500-60-6
MF:C8H6N2O2
MW:162.145441532135
CID:300978
PubChem ID:4288000
Update Time:2025-04-19
1H-Benzimidazole-1-carboxaldehyde,2,3-dihydro-2-oxo- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Benzimidazole-1-carboxaldehyde,2,3-dihydro-2-oxo-
- 1H-Benzimidazole-1-carboxaldehyde,2,3-dihydro-2-oxo-(9CI)
- AKOS006273392
- FT-0695453
- 313500-60-6
- SCHEMBL10516969
- 2-Oxo-2,3-dihydro-1H-benzo[d]imidazole-1-carbaldehyde
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- Inchi： 1S/C8H6N2O2/c11-5-10-7-4-2-1-3-6(7)9-8(10)12/h1-5H,(H,9,12)
- InChI Key： BXSVSPGIIKCJHA-UHFFFAOYSA-N
- SMILES： O=C1NC2C=CC=CC=2N1C=O
Computed Properties
- Exact Mass: 162.04300
- Monoisotopic Mass: 162.043
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 217
- 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: 49.4A^2
- XLogP3: 0.5
Experimental Properties
- PSA: 54.86000
- LogP: 0.97000
1H-Benzimidazole-1-carboxaldehyde,2,3-dihydro-2-oxo- Related Literature
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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5. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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