Cas no 62541-35-9 (1H-Pyrrole-2-carboxylic acid, 4,5-dibromo-1-(2-phenylethyl)-)
62541-35-9 structure
Product Name:1H-Pyrrole-2-carboxylic acid, 4,5-dibromo-1-(2-phenylethyl)-
CAS No:62541-35-9
MF:C13H11Br2NO2
MW:373.039942026138
CID:441005
PubChem ID:13152825
Update Time:2025-04-19
1H-Pyrrole-2-carboxylic acid, 4,5-dibromo-1-(2-phenylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole-2-carboxylic acid, 4,5-dibromo-1-(2-phenylethyl)-
- 4,5-dibromo-1-(2-phenylethyl)pyrrole-2-carboxylic acid
- 4,5-Dibromo-1-(2-phenylethyl)-1H-pyrrole-2-carboxylic acid
- DTXSID20522436
- SCHEMBL11623646
- 62541-35-9
-
- Inchi： 1S/C13H11Br2NO2/c14-10-8-11(13(17)18)16(12(10)15)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,17,18)
- InChI Key： MZHCQTRKOYHYLU-UHFFFAOYSA-N
- SMILES： BrC1=C(C=C(C(=O)O)N1CCC1C=CC=CC=1)Br
Computed Properties
- Exact Mass: 370.91563
- Monoisotopic Mass: 370.91565g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 295
- 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: 4.1
- Topological Polar Surface Area: 42.2?2
Experimental Properties
- PSA: 42.23
1H-Pyrrole-2-carboxylic acid, 4,5-dibromo-1-(2-phenylethyl)- Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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3. 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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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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