Cas no 939807-79-1 (1-Amino-4-chloro-1H-pyrrole-2-carbonitrile)
939807-79-1 structure
Product Name:1-Amino-4-chloro-1H-pyrrole-2-carbonitrile
CAS No:939807-79-1
MF:C5H4ClN3
MW:141.558359146118
CID:2103856
Update Time:2023-08-03
1-Amino-4-chloro-1H-pyrrole-2-carbonitrile Chemical and Physical Properties
Names and Identifiers
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- 1-amino-4-chloro-1H-Pyrrole-2-carbonitrile
- CRHVOFAHSRKZTR-UHFFFAOYSA-N
- 1-Amino-4-chloro-1H-pyrrole-2-carbonitrile
-
- Inchi： 1S/C5H4ClN3/c6-4-1-5(2-7)9(8)3-4/h1,3H,8H2
- InChI Key： CRHVOFAHSRKZTR-UHFFFAOYSA-N
- SMILES： ClC1C=C(C#N)N(C=1)N
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 150
- Topological Polar Surface Area: 54.7
1-Amino-4-chloro-1H-pyrrole-2-carbonitrile Related Literature
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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