Cas no 14370-79-7 (Benzeneacetic acid, a-[[(4-methylphenyl)sulfonyl]phenylamino]-,ethyl ester)
14370-79-7 structure
Product Name:Benzeneacetic acid, a-[[(4-methylphenyl)sulfonyl]phenylamino]-,ethyl ester
CAS No:14370-79-7
MF:C23H23NO4S
MW:409.498025178909
CID:177320
PubChem ID:266883
Update Time:2025-04-19
Benzeneacetic acid, a-[[(4-methylphenyl)sulfonyl]phenylamino]-,ethyl ester Chemical and Physical Properties
Names and Identifiers
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- Benzeneacetic acid, a-[[(4-methylphenyl)sulfonyl]phenylamino]-,ethyl ester
- NSC-105689
- NSC105689
- 14370-79-7
-
- Inchi: 1S/C23H23NO4S/c1-3-28-23(25)22(19-10-6-4-7-11-19)24(20-12-8-5-9-13-20)29(26,27)21-16-14-18(2)15-17-21/h4-17,22H,3H2,1-2H3
- InChI Key: UVWJQLSBEQEGRI-UHFFFAOYSA-N
- SMILES: S(C1C=CC(C)=CC=1)(N(C1C=CC=CC=1)C(C(=O)OCC)C1C=CC=CC=1)(=O)=O
Computed Properties
- Exact Mass: 409.13500
- Monoisotopic Mass: 409.134779
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 29
- Rotatable Bond Count: 8
- Complexity: 609
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 72.1
- XLogP3: 5
Experimental Properties
- Density: 1.249
- Boiling Point: 556.2°Cat760mmHg
- Flash Point: 290.2°C
- Refractive Index: 1.611
- PSA: 72.06000
- LogP: 5.57550
Benzeneacetic acid, a-[[(4-methylphenyl)sulfonyl]phenylamino]-,ethyl ester Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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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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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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