Cas no 56453-93-1 (1H-Pyrrole-3-carboxylicacid, 5-chloro-2,4-dimethyl-, ethyl ester)
56453-93-1 structure
Product Name:1H-Pyrrole-3-carboxylicacid, 5-chloro-2,4-dimethyl-, ethyl ester
CAS No:56453-93-1
MF:C9H12ClNO2
MW:201.650081634521
CID:379561
PubChem ID:143360
Update Time:2025-04-19
1H-Pyrrole-3-carboxylicacid, 5-chloro-2,4-dimethyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
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- 1H-Pyrrole-3-carboxylicacid, 5-chloro-2,4-dimethyl-, ethyl ester
- ethyl 5-chloro-2,4-dimethyl-1H-pyrrole-3-carboxylate
- 1H-Pyrrole-3-carboxylic acid, 5-chloro- 2,4-dimethyl, ethyl ester
- Pyrrole-3-carboxylic acid, 2,4-dimethyl-5-chloro-, ethyl ester
- 56453-93-1
- 1H-Pyrrole-3-carboxylic acid, 5-chloro-2,4-dimethyl-, ethyl ester
- DTXSID50205003
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- Inchi： 1S/C9H12ClNO2/c1-4-13-9(12)7-5(2)8(10)11-6(7)3/h11H,4H2,1-3H3
- InChI Key： GRYFGCGXANJODG-UHFFFAOYSA-N
- SMILES： ClC1=C(C)C(C(=O)OCC)=C(C)N1
Computed Properties
- Exact Mass: 200.04793
- Monoisotopic Mass: 201.056
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 198
- 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: 2.7
- Topological Polar Surface Area: 42.1?2
Experimental Properties
- Density: 1.209
- Boiling Point: 334.2°C at 760 mmHg
- Flash Point: 155.9°C
- Refractive Index: 1.531
- PSA: 39.19
1H-Pyrrole-3-carboxylicacid, 5-chloro-2,4-dimethyl-, ethyl ester Related Literature
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1. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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