Cas no 16405-85-9 (1H-Benzimidazole,6-chloro-2-(2-propen-1-yl)-)
16405-85-9 structure
Product Name:1H-Benzimidazole,6-chloro-2-(2-propen-1-yl)-
CAS No:16405-85-9
MF:C10H9ClN2
MW:192.644860982895
CID:121646
PubChem ID:45078575
Update Time:2025-04-18
1H-Benzimidazole,6-chloro-2-(2-propen-1-yl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Benzimidazole,6-chloro-2-(2-propen-1-yl)-
- Benzimidazole, 2-allyl-5-chloro- (8CI)
- 16405-85-9
- Benzimidazole,2-allyl-5-chloro-(8ci)
- DTXSID501262757
- SCHEMBL4563435
- SCHEMBL9426469
- 6-Chloro-2-(2-propen-1-yl)-1H-benzimidazole
- 2-Allyl-5-chloro-1H-benzo[d]imidazole
-
- Inchi: 1S/C10H9ClN2/c1-2-3-10-12-8-5-4-7(11)6-9(8)13-10/h2,4-6H,1,3H2,(H,12,13)
- InChI Key: ZRCBMJMQRFPGQT-UHFFFAOYSA-N
- SMILES: ClC1C=CC2=C(C=1)NC(CC=C)=N2
Computed Properties
- Exact Mass: 192.04557
- Monoisotopic Mass: 192.045
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 195
- 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: 3.6
- Topological Polar Surface Area: 28.7A^2
Experimental Properties
- PSA: 28.68
1H-Benzimidazole,6-chloro-2-(2-propen-1-yl)- Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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