Cas no 1204245-52-2 (1-amino-4-nitro-1H-pyrrole-2-carboxamide)
1204245-52-2 structure
Product Name:1-amino-4-nitro-1H-pyrrole-2-carboxamide
CAS No:1204245-52-2
MF:C5H6N4O3
MW:170.1261
CID:2952611
Update Time:2022-08-31
1-amino-4-nitro-1H-pyrrole-2-carboxamide Chemical and Physical Properties
Names and Identifiers
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- 1-氨基-4-硝基-1H-吡咯-2-甲酰胺
- 1-AMino-4-nitro-1H-pyrrole-2-carboxylic acid aMide
- 1-amino-4-nitro-1H-pyrrole-2-carboxamide
- Ethyl2,4-diMethylpyridine-3-carboxylate
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- Inchi： 1S/C5H6N4O3/c6-5(10)4-1-3(9(11)12)2-8(4)7/h1-2H,7H2,(H2,6,10)
- InChI Key： BTBOEAHGYHVTGX-UHFFFAOYSA-N
- SMILES： O=C(C1=C([H])C(=C([H])N1N([H])[H])[N+](=O)[O-])N([H])[H]
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 213
- XLogP3: 0
- Topological Polar Surface Area: 120
1-amino-4-nitro-1H-pyrrole-2-carboxamide Related Literature
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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