Cas no 721450-11-9 (1H-Pyrrole-2-carbonylchloride, 3-chloro-)
721450-11-9 structure
Product Name:1H-Pyrrole-2-carbonylchloride, 3-chloro-
CAS No:721450-11-9
MF:C5H3Cl2NO
MW:163.989419221878
CID:558457
PubChem ID:21864578
Update Time:2025-04-19
1H-Pyrrole-2-carbonylchloride, 3-chloro- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole-2-carbonylchloride, 3-chloro-
- 3-Chloro-1H-pyrrole-2-carbonylchloride
- 1H-Pyrrole-2-carbonyl chloride, 3-chloro- (9CI)
- DTXSID40619019
- FT-0721584
- SCHEMBL4594945
- 3-chloro-1H-pyrrole-2-carbonyl chloride
- 721450-11-9
-
- Inchi： 1S/C5H3Cl2NO/c6-3-1-2-8-4(3)5(7)9/h1-2,8H
- InChI Key： BMAKFHBTYMVYHR-UHFFFAOYSA-N
- SMILES： ClC1C=CNC=1C(=O)Cl
Computed Properties
- Exact Mass: 162.9591691g/mol
- Monoisotopic Mass: 162.9591691g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 128
- 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: 2.2
- Topological Polar Surface Area: 32.9?2
1H-Pyrrole-2-carbonylchloride, 3-chloro- Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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