Cas no 90870-00-1 (Benzoic acid,5-chloro-2-[(methylsulfonyl)amino]-, ethyl ester)
![Benzoic acid,5-chloro-2-[(methylsulfonyl)amino]-, ethyl ester structure](https://ossimg.kuujia.com/scimg/91000/90870-00-1x500.png)
90870-00-1 structure
Product Name:Benzoic acid,5-chloro-2-[(methylsulfonyl)amino]-, ethyl ester
CAS No:90870-00-1
MF:C10H12ClNO4S
MW:277.724580764771
CID:817431
PubChem ID:225492
Update Time:2025-04-19
Benzoic acid,5-chloro-2-[(methylsulfonyl)amino]-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,5-chloro-2-[(methylsulfonyl)amino]-, ethyl ester
- ethyl 5-chloro-2-(methanesulfonamido)benzoate
- NSC14995
- 90870-00-1
- DTXSID50279981
- NSC 14995
- NSC-14995
-
- Inchi： 1S/C10H12ClNO4S/c1-3-16-10(13)8-6-7(11)4-5-9(8)12-17(2,14)15/h4-6,12H,3H2,1-2H3
- InChI Key： JTPHRBYAWFJCGS-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=C(C(=O)OCC)C=1)NS(C)(=O)=O
Computed Properties
- Exact Mass: 277.0175567g/mol
- Monoisotopic Mass: 277.0175567g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 5
- Complexity: 365
- 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: 80.8?2
Benzoic acid,5-chloro-2-[(methylsulfonyl)amino]-, ethyl ester Related Literature
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
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Ying Li,Weirong Yao,Yunfei Xie,Renjun Pei RSC Adv., 2015,5, 98724-98729
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
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