Cas no 7505-59-1 (1H-Benzotriazole-5-carboxylicacid, 1-acetyl-, methyl ester)
7505-59-1 structure
Product Name:1H-Benzotriazole-5-carboxylicacid, 1-acetyl-, methyl ester
CAS No:7505-59-1
MF:C10H9N3O3
MW:219.196761846542
CID:577569
PubChem ID:343751
Update Time:2025-04-19
1H-Benzotriazole-5-carboxylicacid, 1-acetyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Benzotriazole-5-carboxylicacid, 1-acetyl-, methyl ester
- methyl 1-acetylbenzotriazole-5-carboxylate
- AC1L7Z0T
- NSC400235
- NSC-400235
- 7505-59-1
- DTXSID50322022
-
- Inchi： 1S/C10H9N3O3/c1-6(14)13-9-4-3-7(10(15)16-2)5-8(9)11-12-13/h3-5H,1-2H3
- InChI Key： HLXROYNWQDQAHO-UHFFFAOYSA-N
- SMILES： O(C)C(C1C=CC2=C(C=1)N=NN2C(C)=O)=O
Computed Properties
- Exact Mass: 219.06447
- Monoisotopic Mass: 219.064
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 308
- 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: 0.8
- Topological Polar Surface Area: 74.1?2
Experimental Properties
- Density: 1.4
- Boiling Point: 377.7°Cat760mmHg
- Flash Point: 182.2°C
- Refractive Index: 1.64
- PSA: 74.08
- LogP: 0.87800
1H-Benzotriazole-5-carboxylicacid, 1-acetyl-, methyl ester Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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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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