Cas no 67718-39-2 (1,2,3-Benzotriazin-4(3H)-one,3-(phenylmethoxy)-)
67718-39-2 structure
Product Name:1,2,3-Benzotriazin-4(3H)-one,3-(phenylmethoxy)-
CAS No:67718-39-2
MF:C14H11N3O2
MW:253.256042718887
CID:529693
PubChem ID:327414
Update Time:2025-04-19
1,2,3-Benzotriazin-4(3H)-one,3-(phenylmethoxy)- Chemical and Physical Properties
Names and Identifiers
-
- 1,2,3-Benzotriazin-4(3H)-one,3-(phenylmethoxy)-
- 3-phenylmethoxy-1,2,3-benzotriazin-4-one
- 67718-39-2
- DTXSID90316344
- NSC302355
- 3-(Benzyloxy)-1,2,3-benzotriazin-4(3H)-one
- NSC-302355
-
- Inchi: 1S/C14H11N3O2/c18-14-12-8-4-5-9-13(12)15-16-17(14)19-10-11-6-2-1-3-7-11/h1-9H,10H2
- InChI Key: JJWFMKJTAYHRHI-UHFFFAOYSA-N
- SMILES: O(CC1C=CC=CC=1)N1C(C2C=CC=CC=2N=N1)=O
Computed Properties
- Exact Mass: 253.08523
- Monoisotopic Mass: 253.085
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 353
- 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: 2.4
- Topological Polar Surface Area: 54.3?2
Experimental Properties
- Density: 1.28
- Boiling Point: 399.4°Cat760mmHg
- Flash Point: 195.4°C
- Refractive Index: 1.65
- PSA: 54.26
1,2,3-Benzotriazin-4(3H)-one,3-(phenylmethoxy)- Related Literature
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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