Cas no 1198-67-0 (1H-Pyrrole-2-carboxylicacid, 3,4,5-tribromo-, methyl ester)
1198-67-0 structure
Product Name:1H-Pyrrole-2-carboxylicacid, 3,4,5-tribromo-, methyl ester
CAS No:1198-67-0
MF:C6H4Br3NO2
MW:361.813459396362
CID:117499
PubChem ID:13152807
Update Time:2025-04-18
1H-Pyrrole-2-carboxylicacid, 3,4,5-tribromo-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole-2-carboxylicacid, 3,4,5-tribromo-, methyl ester
- methyl 3,4,5-tribromo-1H-pyrrole-2-carboxylate
- DTXSID80522432
- FT-0759916
- 1H-Pyrrole-2-carboxylic acid, 3,4,5-tribromo-, methyl ester
- 1198-67-0
-
- Inchi： 1S/C6H4Br3NO2/c1-12-6(11)4-2(7)3(8)5(9)10-4/h10H,1H3
- InChI Key： JKARVVJCKXGAHO-UHFFFAOYSA-N
- SMILES： BrC1C(=C(NC=1C(=O)OC)Br)Br
Computed Properties
- Exact Mass: 358.77912
- Monoisotopic Mass: 358.77922g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 190
- 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: 3.3
- Topological Polar Surface Area: 42.1?2
Experimental Properties
- PSA: 42.09
1H-Pyrrole-2-carboxylicacid, 3,4,5-tribromo-, methyl ester Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
1198-67-0 (1H-Pyrrole-2-carboxylicacid, 3,4,5-tribromo-, methyl ester) Related Products
- 1194-97-4(5-Methyl-2-(methoxycarbonyl)pyrrole)
- 3284-51-3(Ethyl 5-methyl-1H-pyrrole-2-carboxylate)
- 5453-67-8(2,6-dimethyl pyridine-2,6-dicarboxylate)
- 69950-65-8(Methyl 6-formylpyridine-2-carboxylate)
- 39977-44-1(methyl 6-(hydroxymethyl)pyridine-2-carboxylate)
- 2199-43-1(Ethyl 1H-pyrrole-2-carboxylate)
- 1197-13-3(Methyl 5-formyl-1H-pyrrole-2-carboxylate)
- 1193-62-0(Methyl 1H-pyrrole-2-carboxylate)
- 2459-07-6(methyl pyridine-2-carboxylate)
- 7170-36-7(6-(methoxycarbonyl)pyridine-2-carboxylic acid)
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