Cas no 1132638-93-7 (7-methyl-1H-Benzotriazole-5-carboxylic acid methyl ester)
1132638-93-7 structure
Product Name:7-methyl-1H-Benzotriazole-5-carboxylic acid methyl ester
CAS No:1132638-93-7
MF:C9H9N3O2
MW:191.186661481857
CID:2131025
PubChem ID:57346791
Update Time:2025-04-21
7-methyl-1H-Benzotriazole-5-carboxylic acid methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 7-methyl-1H-Benzotriazole-5-carboxylic acid methyl ester
- methyl 7-methyl-2H-benzotriazole-5-carboxylate
- methyl 7-methyl-1H-benzo[d][1,2,3]triazole-5-carboxylate
- DB-359873
- 1132638-93-7
- SCHEMBL13907988
- METHYL 7-METHYL-1H-1,2,3-BENZOTRIAZOLE-5-CARBOXYLATE
- DTXSID20721260
- AKOS015995062
-
- Inchi： 1S/C9H9N3O2/c1-5-3-6(9(13)14-2)4-7-8(5)11-12-10-7/h3-4H,1-2H3,(H,10,11,12)
- InChI Key： CPZPOBHYWYUEQT-UHFFFAOYSA-N
- SMILES： O(C)C(C1=CC2C(C(C)=C1)=NNN=2)=O
Computed Properties
- Exact Mass: 191.069476538Da
- Monoisotopic Mass: 191.069476538Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 234
- 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: 1.2
- Topological Polar Surface Area: 67.9?2
7-methyl-1H-Benzotriazole-5-carboxylic acid methyl ester Related Literature
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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5. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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