Cas no 88422-23-5 (1H-Benzimidazole-2-carbonitrile,6-chloro-)
88422-23-5 structure
Product Name:1H-Benzimidazole-2-carbonitrile,6-chloro-
CAS No:88422-23-5
MF:C8H4ClN3
MW:177.590459823608
CID:709476
PubChem ID:20270146
Update Time:2025-04-19
1H-Benzimidazole-2-carbonitrile,6-chloro- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Benzimidazole-2-carbonitrile,6-chloro-
- 1H-Benzimidazole-2-carbonitrile,5-chloro-(9CI)
- 88422-23-5
- BDBM50570935
- SCHEMBL10958865
- CHEMBL4864399
-
- Inchi： 1S/C8H4ClN3/c9-5-1-2-6-7(3-5)12-8(4-10)11-6/h1-3H,(H,11,12)
- InChI Key： PDSTXCBQIRKERL-UHFFFAOYSA-N
- SMILES： ClC1C=CC2=C(C=1)NC(C#N)=N2
Computed Properties
- Exact Mass: 177.009
- Monoisotopic Mass: 177.009
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 222
- 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: 2.3
- Topological Polar Surface Area: 52.5A^2
Experimental Properties
- Density: 1.5
- Boiling Point: 381.9°C at 760 mmHg
- Flash Point: 184.8°C
- Refractive Index: 1.696
1H-Benzimidazole-2-carbonitrile,6-chloro- Related Literature
-
Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
-
Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
-
Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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