Cas no 552331-93-8 (tert-Butyl 5-bromo-1H-benzo[d][1,2,3]triazole-1-carboxylate)
![tert-Butyl 5-bromo-1H-benzo[d][1,2,3]triazole-1-carboxylate structure](https://ossimg.kuujia.com/scimg/552500/552331-93-8x500.png)
552331-93-8 structure
Product Name:tert-Butyl 5-bromo-1H-benzo[d][1,2,3]triazole-1-carboxylate
CAS No:552331-93-8
MF:C11H12BrN3O2
MW:298.13588142395
CID:2736490
PubChem ID:69909976
Update Time:2025-04-21
tert-Butyl 5-bromo-1H-benzo[d][1,2,3]triazole-1-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- tert-butyl 5-bromobenzotriazole-1-carboxylate
- tert-Butyl 5-bromo-1H-benzo[d][1,2,3]triazole-1-carboxylate
- HS-8848
- SCHEMBL6829950
- 552331-93-8
- CHHULRCLUWNINU-UHFFFAOYSA-N
- 5-bromo-benzotriazole-1-carboxylic acid tert-butyl ester
- tert-butyl 5-bromo-1H-1,2,3-benzotriazole-1-carboxylate
- DB-173993
-
- Inchi： 1S/C11H12BrN3O2/c1-11(2,3)17-10(16)15-9-5-4-7(12)6-8(9)13-14-15/h4-6H,1-3H3
- InChI Key： CHHULRCLUWNINU-UHFFFAOYSA-N
- SMILES： BrC1C=CC2=C(C=1)N=NN2C(=O)OC(C)(C)C
Computed Properties
- Exact Mass: 297.01129Da
- Monoisotopic Mass: 297.01129Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 306
- 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: 3.1
- Topological Polar Surface Area: 57?2
tert-Butyl 5-bromo-1H-benzo[d][1,2,3]triazole-1-carboxylate Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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2. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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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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