Cas no 114416-17-0 (1-(allyloxycarbonyl)benzotriazole)
114416-17-0 structure
Product Name:1-(allyloxycarbonyl)benzotriazole
CAS No:114416-17-0
MF:C10H9N3O2
MW:203.197361707687
CID:2120319
PubChem ID:10878233
Update Time:2025-04-21
1-(allyloxycarbonyl)benzotriazole Chemical and Physical Properties
Names and Identifiers
-
- 1-(allyloxycarbonyl)benzotriazole
- 114416-17-0
- Allyl 1H-benzo[d][1,2,3]triazole-1-carboxylate
- N-(allyloxycarbonyl)benzotriazole
- DB-311181
- SCHEMBL1519616
- YOLMTYMZZHLITG-UHFFFAOYSA-N
-
- Inchi： 1S/C10H9N3O2/c1-2-7-15-10(14)13-9-6-4-3-5-8(9)11-12-13/h2-6H,1,7H2
- InChI Key： YOLMTYMZZHLITG-UHFFFAOYSA-N
- SMILES： O(CC=C)C(N1C2C=CC=CC=2N=N1)=O
Computed Properties
- Exact Mass: 203.069476538Da
- Monoisotopic Mass: 203.069476538Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 257
- 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
- Topological Polar Surface Area: 57?2
1-(allyloxycarbonyl)benzotriazole Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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