Cas no 50264-62-5 (1-(4-bromobenzyl)-1H-indazole-3-carboxylic acid)
50264-62-5 structure
Product Name:1-(4-bromobenzyl)-1H-indazole-3-carboxylic acid
CAS No:50264-62-5
MF:C15H11BrN2O2
MW:331.164042711258
CID:1564271
PubChem ID:206429
Update Time:2025-04-21
1-(4-bromobenzyl)-1H-indazole-3-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 1-(4-bromobenzyl)-1H-indazole-3-carboxylic acid
- 1-[(4-bromophenyl)methyl]indazole-3-carboxylic acid
- CHEMBL3276574
- AKOS012407086
- BRN 0888597
- 1H-Indazole-3-carboxylic acid, 1-(p-bromobenzyl)-
- SCHEMBL11317467
- DTXSID10198260
- 50264-62-5
-
- Inchi： 1S/C15H11BrN2O2/c16-11-7-5-10(6-8-11)9-18-13-4-2-1-3-12(13)14(17-18)15(19)20/h1-8H,9H2,(H,19,20)
- InChI Key： LHUBCIXMWFXTQH-UHFFFAOYSA-N
- SMILES： BrC1C=CC(=CC=1)CN1C2C=CC=CC=2C(C(=O)O)=N1
Computed Properties
- Exact Mass: 330.00043
- Monoisotopic Mass: 330
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 3
- Complexity: 358
- 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: 3.7
- Topological Polar Surface Area: 55.1?2
Experimental Properties
- Density: 1.56
- Boiling Point: 540.9°C at 760 mmHg
- Flash Point: 280.9°C
- Refractive Index: 1.685
- PSA: 55.12
1-(4-bromobenzyl)-1H-indazole-3-carboxylic acid Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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