Cas no 62648-54-8 (Naphtho[1,2-b]thiophene-2-carboxylic acid, 7-nitro-, ethyl ester)
![Naphtho[1,2-b]thiophene-2-carboxylic acid, 7-nitro-, ethyl ester structure](https://ossimg.kuujia.com/scimg/63000/62648-54-8x500.png)
62648-54-8 structure
Product Name:Naphtho[1,2-b]thiophene-2-carboxylic acid, 7-nitro-, ethyl ester
CAS No:62648-54-8
MF:C15H11NO4S
MW:301.317142724991
CID:436488
PubChem ID:12326979
Update Time:2025-04-19
Naphtho[1,2-b]thiophene-2-carboxylic acid, 7-nitro-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Naphtho[1,2-b]thiophene-2-carboxylic acid, 7-nitro-, ethyl ester
- ethyl 7-nitrobenzo[g][1]benzothiole-2-carboxylate
- ETHYL 7-NITRONAPHTHO[1,2-B]THIOPHENE-2-CARBOXYLATE
- DTXSID70489762
- 62648-54-8
-
- Inchi： 1S/C15H11NO4S/c1-2-20-15(17)13-8-10-4-3-9-7-11(16(18)19)5-6-12(9)14(10)21-13/h3-8H,2H2,1H3
- InChI Key： VVLLYXWBVFIBMM-UHFFFAOYSA-N
- SMILES： S1C(C(=O)OCC)=CC2=CC=C3C=C(C=CC3=C12)[N+](=O)[O-]
Computed Properties
- Exact Mass: 301.04093
- Monoisotopic Mass: 301.04087901g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 21
- Rotatable Bond Count: 3
- Complexity: 424
- 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: 4.6
- Topological Polar Surface Area: 100?2
Experimental Properties
- PSA: 69.44
Naphtho[1,2-b]thiophene-2-carboxylic acid, 7-nitro-, ethyl ester Related Literature
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
-
Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
-
Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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