Cas no 26759-52-4 (Benzo[b]thiophene-2-carboxylicacid, 3-hydroxy-5-nitro-, methyl ester)
![Benzo[b]thiophene-2-carboxylicacid, 3-hydroxy-5-nitro-, methyl ester structure](https://ossimg.kuujia.com/scimg/27000/26759-52-4x500.png)
26759-52-4 structure
Product Name:Benzo[b]thiophene-2-carboxylicacid, 3-hydroxy-5-nitro-, methyl ester
CAS No:26759-52-4
MF:C10H7NO5S
MW:253.231281518936
CID:274533
PubChem ID:54728672
Update Time:2025-04-19
Benzo[b]thiophene-2-carboxylicacid, 3-hydroxy-5-nitro-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzo[b]thiophene-2-carboxylicacid, 3-hydroxy-5-nitro-, methyl ester
- methyl 3-hydroxy-5-nitro-2H-1-benzothiophene-3-carboxylate
- methyl 3-hydroxy-5-nitro-2H-benzothiophene-3-carboxylate
- Methyl 3-hydroxy-5-nitrobenzo(b)thiophene-3-carboxylate
- 26759-52-4
- SCHEMBL9920133
- methyl 3-oxidanyl-5-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]-1-benzothiophene-2-carboxylate
- methyl 3-hydroxy-5-nitrobenzo[b]thiophene-2-carboxylate
- METHYL 3-HYDROXY-5-NITRO-1-BENZOTHIOPHENE-2-CARBOXYLATE
- EINECS 247-972-4
- JYR
- GYYAQCMJASDSIH-UHFFFAOYSA-N
-
- Inchi： 1S/C10H7NO5S/c1-16-10(13)9-8(12)6-4-5(11(14)15)2-3-7(6)17-9/h2-4,12H,1H3
- InChI Key： GYYAQCMJASDSIH-UHFFFAOYSA-N
- SMILES： S1C(C(=O)OC)=C(C2C=C(C=CC1=2)[N+](=O)[O-])O
Computed Properties
- Exact Mass: 255.02017
- Monoisotopic Mass: 253.004
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 331
- 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
- Topological Polar Surface Area: 121A^2
- XLogP3: 3.2
Experimental Properties
- Density: 1.567
- Boiling Point: 409.9°Cat760mmHg
- Flash Point: 201.7°C
- Refractive Index: 1.671
- PSA: 89.67
Benzo[b]thiophene-2-carboxylicacid, 3-hydroxy-5-nitro-, methyl ester Related Literature
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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