Cas no 61360-51-8 (1H-Indazole-3-carboxylic acid, 6-nitro-1-phenyl-, methyl ester)
61360-51-8 structure
Product Name:1H-Indazole-3-carboxylic acid, 6-nitro-1-phenyl-, methyl ester
CAS No:61360-51-8
MF:C15H11N3O4
MW:297.265543222427
CID:482423
PubChem ID:71396554
Update Time:2025-04-19
1H-Indazole-3-carboxylic acid, 6-nitro-1-phenyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indazole-3-carboxylic acid, 6-nitro-1-phenyl-, methyl ester
- methyl 6-nitro-1-phenylindazole-3-carboxylate
- 61360-51-8
- DTXSID10818113
- Methyl 6-nitro-1-phenyl-1H-indazole-3-carboxylate
-
- Inchi： 1S/C15H11N3O4/c1-22-15(19)14-12-8-7-11(18(20)21)9-13(12)17(16-14)10-5-3-2-4-6-10/h2-9H,1H3
- InChI Key： PYVNMASCHQIRII-UHFFFAOYSA-N
- SMILES： O(C)C(C1C2C=CC(=CC=2N(C2C=CC=CC=2)N=1)[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 297.07503
- Monoisotopic Mass: 297.07495584g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 22
- Rotatable Bond Count: 3
- Complexity: 433
- 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: 3.2
- Topological Polar Surface Area: 89.9?2
Experimental Properties
- PSA: 87.26
1H-Indazole-3-carboxylic acid, 6-nitro-1-phenyl-, methyl ester Related Literature
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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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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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