Cas no 131467-23-7 (Glycine, N-[(4-chlorophenyl)sulfonyl]-, ethyl ester)
![Glycine, N-[(4-chlorophenyl)sulfonyl]-, ethyl ester structure](https://ossimg.kuujia.com/scimg/131500/131467-23-7x500.png)
131467-23-7 structure
Product Name:Glycine, N-[(4-chlorophenyl)sulfonyl]-, ethyl ester
CAS No:131467-23-7
MF:C10H12ClNO4S
MW:277.724580764771
CID:1228135
Update Time:2024-08-03
Glycine, N-[(4-chlorophenyl)sulfonyl]-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Glycine, N-[(4-chlorophenyl)sulfonyl]-, ethyl ester
-
- Inchi： 1S/C10H12ClNO4S/c1-2-16-10(13)7-12-17(14,15)9-5-3-8(11)4-6-9/h3-6,12H,2,7H2,1H3
- InChI Key： DASIJJNKFKCFNK-UHFFFAOYSA-N
- SMILES： C(OCC)(=O)CNS(C1=CC=C(Cl)C=C1)(=O)=O
Computed Properties
- Exact Mass: 277.01766
- Monoisotopic Mass: 277.018
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 6
- Complexity: 344
- 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
Experimental Properties
- Density: 1.354±0.06 g/cm3(Predicted)
- Boiling Point: 398.0±52.0 °C(Predicted)
- PSA: 72.47
- pka: 8.67±0.50(Predicted)
Glycine, N-[(4-chlorophenyl)sulfonyl]-, ethyl ester Related Literature
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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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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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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