Cas no 848499-24-1 (4-chloro-3,5-dimethyl-1H-pyrrole-2-carboxylic acid)
848499-24-1 structure
Product Name:4-chloro-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
CAS No:848499-24-1
MF:C7H8ClNO2
MW:173.596920967102
CID:2143780
PubChem ID:59406897
Update Time:2025-04-21
4-chloro-3,5-dimethyl-1H-pyrrole-2-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 4-chloro-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
- DB-332161
- LLSZKKMBUQHZKM-UHFFFAOYSA-N
- 848499-24-1
- SCHEMBL3117191
- AKOS017531680
-
- Inchi： 1S/C7H8ClNO2/c1-3-5(8)4(2)9-6(3)7(10)11/h9H,1-2H3,(H,10,11)
- InChI Key： LLSZKKMBUQHZKM-UHFFFAOYSA-N
- SMILES： ClC1=C(C)NC(C(=O)O)=C1C
Computed Properties
- Exact Mass: 173.0243562Da
- Monoisotopic Mass: 173.0243562Da
- 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
- XLogP3: 2
- Topological Polar Surface Area: 53.1?2
4-chloro-3,5-dimethyl-1H-pyrrole-2-carboxylic acid Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
848499-24-1 (4-chloro-3,5-dimethyl-1H-pyrrole-2-carboxylic acid) Related Products
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