Cas no 36178-95-7 (1H-Indazole-3-carboxylic acid, 6-amino-1-phenyl-, methyl ester)
36178-95-7 structure
Product Name:1H-Indazole-3-carboxylic acid, 6-amino-1-phenyl-, methyl ester
CAS No:36178-95-7
MF:C15H13N3O2
MW:267.282623052597
CID:1474500
PubChem ID:76846266
Update Time:2025-04-20
1H-Indazole-3-carboxylic acid, 6-amino-1-phenyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
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- 1H-Indazole-3-carboxylic acid, 6-amino-1-phenyl-, methyl ester
- 36178-95-7
- 1h-indazole-3-carboxylic acid,6-amino-1-phenyl-,methyl ester
-
- Inchi： 1S/C15H13N3O2/c1-20-15(19)14-12-8-7-10(16)9-13(12)18(17-14)11-5-3-2-4-6-11/h2-9H,16H2,1H3
- InChI Key： XDQKHYHIJQJEQT-UHFFFAOYSA-N
- SMILES： O(C)C(C1C2C=CC(=CC=2N(C2C=CC=CC=2)N=1)N)=O
Computed Properties
- Exact Mass: 267.10089
- Monoisotopic Mass: 267.100776666g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 3
- Complexity: 357
- 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: 2.7
- Topological Polar Surface Area: 70.1?2
Experimental Properties
- PSA: 70.14
1H-Indazole-3-carboxylic acid, 6-amino-1-phenyl-, methyl ester Related Literature
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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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
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