Cas no 849353-64-6 (1H-Indole-2-carboxylic acid, 1-[4-(1H-pyrrol-1-yl)phenyl]-)
![1H-Indole-2-carboxylic acid, 1-[4-(1H-pyrrol-1-yl)phenyl]- structure](https://ossimg.kuujia.com/scimg/849500/849353-64-6x500.png)
849353-64-6 structure
Product Name:1H-Indole-2-carboxylic acid, 1-[4-(1H-pyrrol-1-yl)phenyl]-
CAS No:849353-64-6
MF:C19H14N2O2
MW:302.326664447784
CID:1834792
PubChem ID:11347178
Update Time:2025-04-21
1H-Indole-2-carboxylic acid, 1-[4-(1H-pyrrol-1-yl)phenyl]- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole-2-carboxylic acid, 1-[4-(1H-pyrrol-1-yl)phenyl]-
- WEJUTVVVGMHSPP-UHFFFAOYSA-N
- 1h-indole-2-carboxylic acid,1-[4-(1h-pyrrol-1-yl)phenyl]-
- SCHEMBL5434782
- 849353-64-6
- 1-[4-(1H-pyrrol-1-yl)phenyl]-1H-indole-2-carboxylic Acid
-
- Inchi： 1S/C19H14N2O2/c22-19(23)18-13-14-5-1-2-6-17(14)21(18)16-9-7-15(8-10-16)20-11-3-4-12-20/h1-13H,(H,22,23)
- InChI Key： WEJUTVVVGMHSPP-UHFFFAOYSA-N
- SMILES： OC(C1=CC2C=CC=CC=2N1C1C=CC(=CC=1)N1C=CC=C1)=O
Computed Properties
- Exact Mass: 302.105527694g/mol
- Monoisotopic Mass: 302.105527694g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 23
- Rotatable Bond Count: 3
- Complexity: 427
- 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: 47.2?2
1H-Indole-2-carboxylic acid, 1-[4-(1H-pyrrol-1-yl)phenyl]- Related Literature
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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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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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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