Cas no 1872-41-9 (1-methyl-5-nitro-1H-Pyrrole-2-carboxylic acid ethyl ester)
1872-41-9 structure
Product Name:1-methyl-5-nitro-1H-Pyrrole-2-carboxylic acid ethyl ester
CAS No:1872-41-9
MF:C8H10N2O4
MW:198.176002025604
CID:1108249
PubChem ID:12532414
Update Time:2025-04-20
1-methyl-5-nitro-1H-Pyrrole-2-carboxylic acid ethyl ester Chemical and Physical Properties
Names and Identifiers
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- 1-methyl-5-nitro-1H-Pyrrole-2-carboxylic acid ethyl ester
- 1872-41-9
- Ethyl 1-methyl-5-nitro-1H-pyrrole-2-carboxylate
- AKOS009166236
- Ethyl1-methyl-5-nitro-1H-pyrrole-2-carboxylate
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- Inchi： 1S/C8H10N2O4/c1-3-14-8(11)6-4-5-7(9(6)2)10(12)13/h4-5H,3H2,1-2H3
- InChI Key： YBQAVWTUFAKQEQ-UHFFFAOYSA-N
- SMILES： O(CC)C(C1=CC=C([N+](=O)[O-])N1C)=O
Computed Properties
- Exact Mass: 198.06405680g/mol
- Monoisotopic Mass: 198.06405680g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 238
- 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: 1.4
- Topological Polar Surface Area: 77?2
1-methyl-5-nitro-1H-Pyrrole-2-carboxylic acid ethyl ester Related Literature
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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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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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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