Cas no 54769-36-7 (1-(Benzoyloxy)-1H-1,2,3-benzotriazole)
54769-36-7 structure
Product Name:1-(Benzoyloxy)-1H-1,2,3-benzotriazole
CAS No:54769-36-7
MF:C13H9N3O2
MW:239.229462385178
CID:942789
PubChem ID:555244
Update Time:2025-04-19
1-(Benzoyloxy)-1H-1,2,3-benzotriazole Chemical and Physical Properties
Names and Identifiers
-
- 1-(Benzoyloxy)-1H-1,2,3-benzotriazole
- benzotriazol-1-yl benzoate
- 1-(benzoyloxy)-benzotriazole
- 1,2,3-Benzotriazole-1-benzoate
- 1H-benzo[d][1,2,3]triazol-1-yl benzoate
- 1H-benzotriazol-1-yl benzoate
- 1-N-(benzoyloxy)benzotriazole
- AC1LBC97
- AG-J-46352
- benzoic acid 1H-benzotriazol-1-yl ester
- CHEMBL1288690
- CTK1G8141
- KB-215643
- 1-benzoyloxybenzotriazole
- 1-benzoyloxy-1,2,3-benzotriazole
- 54769-36-7
- benzoic acid benzotriazol-1-yl ester
- SCHEMBL1779820
- 1-(Benzoyloxy)-1H-1,2,3-benzotriazole #
- DTXSID70339293
- DB-362941
-
- Inchi： 1S/C13H9N3O2/c17-13(10-6-2-1-3-7-10)18-16-12-9-5-4-8-11(12)14-15-16/h1-9H
- InChI Key： CENQUTVRMPTFCN-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC=CC=1)=O)N1C2C=CC=CC=2N=N1
Computed Properties
- Exact Mass: 239.06957
- Monoisotopic Mass: 239.069476538g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 305
- 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
- Topological Polar Surface Area: 57?2
Experimental Properties
- PSA: 57.01
1-(Benzoyloxy)-1H-1,2,3-benzotriazole Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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