Cas no 58586-04-2 (1-(2-methylbenzyl)-1H-indazole-3-carboxylic acid)
58586-04-2 structure
Product Name:1-(2-methylbenzyl)-1H-indazole-3-carboxylic acid
CAS No:58586-04-2
MF:C16H14N2O2
MW:266.294563770294
CID:1610928
PubChem ID:3041820
Update Time:2025-04-21
1-(2-methylbenzyl)-1H-indazole-3-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 1-(2-methylbenzyl)-1H-indazole-3-carboxylic acid
- 1-[(2-methylphenyl)methyl]indazole-3-carboxylic acid
- CHEMBL3276589
- 1-(2-Methyl-benzyl)-1H-indazole-3-carboxylic acid
- 1H-Indazole-3-carboxylic acid, 1-[(2-methylphenyl)methyl]-
- 58586-04-2
- 1H-Indazole-3-carboxylic acid, 1-(2-methylbenzyl)-
- 1-[(2-Methylphenyl)methyl]-1H-indazole-3-carboxylic acid
- GC7N8Z6PTH
- BRN 0810672
- AKOS012407085
- DTXSID00207299
-
- Inchi： 1S/C16H14N2O2/c1-11-6-2-3-7-12(11)10-18-14-9-5-4-8-13(14)15(17-18)16(19)20/h2-9H,10H2,1H3,(H,19,20)
- InChI Key： YTQCRNRXNBCBHI-UHFFFAOYSA-N
- SMILES： OC(C1C2C=CC=CC=2N(CC2C=CC=CC=2C)N=1)=O
Computed Properties
- Exact Mass: 266.10562
- Monoisotopic Mass: 266.106
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 3
- Complexity: 360
- 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: 3.4
- Topological Polar Surface Area: 55.1?2
Experimental Properties
- Density: 1.24
- Boiling Point: 502.1°C at 760 mmHg
- Flash Point: 257.5°C
- Refractive Index: 1.641
- PSA: 55.12
1-(2-methylbenzyl)-1H-indazole-3-carboxylic acid Related Literature
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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