Cas no 830321-64-7 (1,2,3-Benzotriazin-4(1H)-one, 6,8-dimethyl-)
830321-64-7 structure
Product Name:1,2,3-Benzotriazin-4(1H)-one, 6,8-dimethyl-
CAS No:830321-64-7
MF:C9H9N3O
MW:175.187261343002
CID:853302
PubChem ID:136202279
Update Time:2025-04-19
1,2,3-Benzotriazin-4(1H)-one, 6,8-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,2,3-Benzotriazin-4(1H)-one, 6,8-dimethyl-
- 1,2,3-Benzotriazin-4(1H)-one,6,8-dimethyl-(9CI)
- 6,8-dimethyl-1H-1,2,3-benzotriazin-4-one
- 6,8-Dimethylbenzo[d][1,2,3]triazin-4(1H)-one
- SCHEMBL17950545
- 6,8-dimethyl-3,4-dihydro-1,2,3-benzotriazin-4-one
- 6,8-Dimethylbenzo[d][1,2,3]triazin-4(3H)-one
- 830321-64-7
- CS-0083084
- 6,8-dimethyl-3H-1,2,3-benzotriazin-4-one
-
- Inchi： 1S/C9H9N3O/c1-5-3-6(2)8-7(4-5)9(13)11-12-10-8/h3-4H,1-2H3,(H,10,11,13)
- InChI Key： LLCRWMMDQNCDBI-UHFFFAOYSA-N
- SMILES： O=C1C2=CC(C)=CC(C)=C2N=NN1
Computed Properties
- Exact Mass: 175.074561919g/mol
- Monoisotopic Mass: 175.074561919g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 251
- 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: 2.1
- Topological Polar Surface Area: 53.8?2
1,2,3-Benzotriazin-4(1H)-one, 6,8-dimethyl- Related Literature
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Yu Long,Bing Yuan,Jianrui Niu,Xin Tong,Jiantai Ma New J. Chem., 2015,39, 1179-1185
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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