Cas no 1243450-04-5 (1-Amino-4-bromo-1H-pyrrole-2-carboxylic acid)
1243450-04-5 structure
Product Name:1-Amino-4-bromo-1H-pyrrole-2-carboxylic acid
CAS No:1243450-04-5
MF:C5H5BrN2O2
MW:205.009400129318
CID:1082426
PubChem ID:52988164
Update Time:2025-04-20
1-Amino-4-bromo-1H-pyrrole-2-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 1-Amino-4-bromo-1H-pyrrole-2-carboxylic acid
- 1-amino-4-bromopyrrole-2-carboxylic acid
- MB14547
- DA-18968
- SCHEMBL21465765
- 1243450-04-5
-
- Inchi： 1S/C5H5BrN2O2/c6-3-1-4(5(9)10)8(7)2-3/h1-2H,7H2,(H,9,10)
- InChI Key： LOSPQTNVEDFKHJ-UHFFFAOYSA-N
- SMILES： BrC1=CN(C(C(=O)O)=C1)N
Computed Properties
- Exact Mass: 203.953
- Monoisotopic Mass: 203.953
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 153
- 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
- Topological Polar Surface Area: 68.2A^2
- XLogP3: 1.5
1-Amino-4-bromo-1H-pyrrole-2-carboxylic acid Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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