Cas no 864685-38-1 (7-Fluoro-4-methoxy-benzo[b]-thiophene-2-carboxylic acid, methyl ester)
![7-Fluoro-4-methoxy-benzo[b]-thiophene-2-carboxylic acid, methyl ester structure](https://ossimg.kuujia.com/scimg/865000/864685-38-1x500.png)
864685-38-1 structure
Product Name:7-Fluoro-4-methoxy-benzo[b]-thiophene-2-carboxylic acid, methyl ester
CAS No:864685-38-1
MF:C11H10FNO3S
MW:255.26540517807
CID:718657
Update Time:2024-01-31
7-Fluoro-4-methoxy-benzo[b]-thiophene-2-carboxylic acid, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 7-Fluoro-4-methoxy-benzo[b]-thiophene-2-carboxylic acid, methyl ester
- methyl 3-amino-7-fluoro-4-methoxy-1-benzothiophene-2-carboxylate
- METHYL 3-AMINO-7-FLUORO-4-METHOXY-1-BENZOTHIOPHENE-2-CARBOXYLATE?
- Benzo[b]thiophene-2-carboxylic acid, 3-amino-7-fluoro-4-methoxy-, methyl ester
- Methyl 3-amino-7-fluoro-4-methoxybenzo[b]thiophene-2-carboxylate
-
- Inchi： 1S/C11H10FNO3S/c1-15-6-4-3-5(12)9-7(6)8(13)10(17-9)11(14)16-2/h3-4H,13H2,1-2H3
- InChI Key： IGVMGBHVBWDXRP-UHFFFAOYSA-N
- SMILES： C12=C(F)C=CC(OC)=C1C(N)=C(C(OC)=O)S2
Computed Properties
- Exact Mass: 240.02600
- Monoisotopic Mass: 255.036542
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 304
- 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: 89.8
Experimental Properties
- PSA: 63.77000
- LogP: 2.83560
7-Fluoro-4-methoxy-benzo[b]-thiophene-2-carboxylic acid, methyl ester Related Literature
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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