Cas no 59777-59-2 (Butyl 4-sulfamoylbenzoate)
Butyl 4-sulfamoylbenzoate structure
Product Name:Butyl 4-sulfamoylbenzoate
CAS No:59777-59-2
MF:C11H15NO4S
MW:257.30610203743
CID:2834418
PubChem ID:23274639
Update Time:2025-04-21
Butyl 4-sulfamoylbenzoate Chemical and Physical Properties
Names and Identifiers
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- 59777-59-2
- DTXSID90632298
- 4-Sulfamoyl-benzoic acid butyl ester
- CHEMBL147233
- Butyl 4-sulfamoylbenzoate
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- Inchi: 1S/C11H15NO4S/c1-2-3-8-16-11(13)9-4-6-10(7-5-9)17(12,14)15/h4-7H,2-3,8H2,1H3,(H2,12,14,15)
- InChI Key: ZMMSBDVMJNGQMZ-UHFFFAOYSA-N
- SMILES: S(C1C=CC(C(=O)OCCCC)=CC=1)(N)(=O)=O
Computed Properties
- Exact Mass: 257.07217913Da
- Monoisotopic Mass: 257.07217913Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 6
- Complexity: 339
- 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: 2.3
- Topological Polar Surface Area: 94.8?2
Butyl 4-sulfamoylbenzoate Related Literature
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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5. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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