Cas no 1093263-26-3 (3-chloro-1H-Pyrrole-2,5-dicarboxylic acid 2-methyl ester)
1093263-26-3 structure
Product Name:3-chloro-1H-Pyrrole-2,5-dicarboxylic acid 2-methyl ester
CAS No:1093263-26-3
MF:C7H6ClNO4
MW:203.579841136932
CID:1098557
PubChem ID:68486007
Update Time:2025-04-20
3-chloro-1H-Pyrrole-2,5-dicarboxylic acid 2-methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 3-chloro-1H-Pyrrole-2,5-dicarboxylic acid 2-methyl ester
- 4-chloro-5-(methoxycarbonyl)-1H-pyrrole-2-carboxylic acid
- NKJKPVBUDKUFRM-UHFFFAOYSA-N
- 1093263-26-3
- 4-Chloro-5-[(methyloxy)carbonyl]-1H-pyrrole-2-carboxylic acid
- SCHEMBL3029318
- DA-39627
-
- Inchi： 1S/C7H6ClNO4/c1-13-7(12)5-3(8)2-4(9-5)6(10)11/h2,9H,1H3,(H,10,11)
- InChI Key： NKJKPVBUDKUFRM-UHFFFAOYSA-N
- SMILES： ClC1C=C(C(=O)O)NC=1C(=O)OC
Computed Properties
- Exact Mass: 202.9985354g/mol
- Monoisotopic Mass: 202.9985354g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 233
- 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: 79.4?2
3-chloro-1H-Pyrrole-2,5-dicarboxylic acid 2-methyl ester Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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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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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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