Cas no 175276-47-8 (4-Bromo-2,5-dimethylpyrrole-3-carboxylic acid)
175276-47-8 structure
Product Name:4-Bromo-2,5-dimethylpyrrole-3-carboxylic acid
CAS No:175276-47-8
MF:C7H8BrNO2
MW:218.047921180725
CID:111942
PubChem ID:53426633
Update Time:2025-04-18
4-Bromo-2,5-dimethylpyrrole-3-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 4-Bromo-2,5-dimethylpyrrole-3-carboxylic acid
- 1H-Pyrrole-3-carboxylicacid, 4-bromo-2,5-dimethyl-
- 4-bromo-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
- DTXSID20699293
- 175276-47-8
- SCHEMBL5369931
-
- Inchi： 1S/C7H8BrNO2/c1-3-5(7(10)11)6(8)4(2)9-3/h9H,1-2H3,(H,10,11)
- InChI Key： JTKSXNVVECCXTL-UHFFFAOYSA-N
- SMILES： BrC1C(C(=O)O)=C(C)NC=1C
Computed Properties
- Exact Mass: 216.97384
- Monoisotopic Mass: 216.974
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 174
- 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
- Surface Charge: 0
- Tautomer Count: 3
- XLogP3: 1.7
- Topological Polar Surface Area: 53.1A^2
Experimental Properties
- PSA: 53.09
4-Bromo-2,5-dimethylpyrrole-3-carboxylic acid Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
175276-47-8 (4-Bromo-2,5-dimethylpyrrole-3-carboxylic acid) Related Products
- 2199-59-9(Ethyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate)
- 1721-26-2(Ethyl 2-methylnicotinate)
- 89-00-9(Quinolinic acid)
- 3222-56-8(2-methylpyridine-3-carboxylic acid)
- 643-38-9(quinoline-2,3-dicarboxylic acid)
- 2436-79-5(Diethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate)
- 1721-13-7(ethyl 2,6-dimethylpyridine-3-carboxylate)
- 2199-51-1(Ethyl 2,4-Dimethylpyrrole-3-carboxylate)
- 2199-58-8(3,5-Dimethyl-1H-pyrrole-2-carbaldehyde)
- 3222-47-7(6-Methylnicotinic acid)
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