Cas no 503865-68-7 (2-Chloro-3-iodocyclohepta[b]pyrrole)
503865-68-7 structure
Product Name:2-Chloro-3-iodocyclohepta[b]pyrrole
CAS No:503865-68-7
MF:C9H5ClIN
MW:289.500173330307
CID:2829332
PubChem ID:71442460
Update Time:2025-04-21
2-Chloro-3-iodocyclohepta[b]pyrrole Chemical and Physical Properties
Names and Identifiers
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- 2-Chloro-3-iodocyclohepta[b]pyrrole
- DTXSID50851347
- 503865-68-7
-
- Inchi: 1S/C9H5ClIN/c10-9-8(11)6-4-2-1-3-5-7(6)12-9/h1-5H
- InChI Key: UKVULMWRAVIGDW-UHFFFAOYSA-N
- SMILES: IC1=C(N=C2C=CC=CC=C21)Cl
Computed Properties
- Exact Mass: 288.91552Da
- Monoisotopic Mass: 288.91552Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 165
- 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: 3.5
- Topological Polar Surface Area: 12.9?2
2-Chloro-3-iodocyclohepta[b]pyrrole Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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