Cas no 72083-70-6 (1,5-dimethyl-4-nitro-1H-Pyrrole-2-carboxylic acid ethyl ester)
72083-70-6 structure
Product Name:1,5-dimethyl-4-nitro-1H-Pyrrole-2-carboxylic acid ethyl ester
CAS No:72083-70-6
MF:C9H12N2O4
MW:212.202582359314
CID:976906
PubChem ID:332127
Update Time:2025-04-19
1,5-dimethyl-4-nitro-1H-Pyrrole-2-carboxylic acid ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1,5-dimethyl-4-nitro-1H-Pyrrole-2-carboxylic acid ethyl ester
- ethyl 1,5-dimethyl-4-nitropyrrole-2-carboxylate
- 1,5-Dimethyl-4-nitropyrrol-2-carbonsaeureethylester
- 1,5-dimethyl-4-nitro-pyrrole-2-carboxylic acid ethyl ester
- AC1L7AHJ
- ethyl 4-nitro-5-methyl-1-methylpyrrole-2-carboxylate
- NSC328023
- DTXSID80318256
- 72083-70-6
- NSC-328023
- Ethyl 1,5-dimethyl-4-nitro-1H-pyrrole-2-carboxylate
- DS-010950
- Ethyl 1,5-dimethyl-4-nitro-pyrrole-2-carboxylate
-
- Inchi： 1S/C9H12N2O4/c1-4-15-9(12)8-5-7(11(13)14)6(2)10(8)3/h5H,4H2,1-3H3
- InChI Key： IDJFCCKGLXMLDX-UHFFFAOYSA-N
- SMILES： O(CC)C(C1=CC(=C(C)N1C)[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 212.07976
- Monoisotopic Mass: 212.07970687g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 263
- 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
Experimental Properties
- PSA: 74.37
- LogP: 1.94160
1,5-dimethyl-4-nitro-1H-Pyrrole-2-carboxylic acid ethyl ester Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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2. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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