Cas no 63421-72-7 (Benzoyl chloride, 4-[(methylsulfonyl)amino]-)
![Benzoyl chloride, 4-[(methylsulfonyl)amino]- structure](https://ossimg.kuujia.com/scimg/63500/63421-72-7x500.png)
63421-72-7 structure
Product Name:Benzoyl chloride, 4-[(methylsulfonyl)amino]-
CAS No:63421-72-7
MF:C8H8ClNO3S
MW:233.672019958496
CID:426449
PubChem ID:11791119
Update Time:2025-04-19
Benzoyl chloride, 4-[(methylsulfonyl)amino]- Chemical and Physical Properties
Names and Identifiers
-
- Benzoyl chloride, 4-[(methylsulfonyl)amino]-
- 4-(methanesulfonamido)benzoyl chloride
- 4-[(Methylsulfonyl)amino]benzoyl chloride
- 63421-72-7
- SCHEMBL3486379
- DTXSID60472901
-
- Inchi： 1S/C8H8ClNO3S/c1-14(12,13)10-7-4-2-6(3-5-7)8(9)11/h2-5,10H,1H3
- InChI Key： XIWZUWWVOULHGZ-UHFFFAOYSA-N
- SMILES： ClC(C1C=CC(=CC=1)NS(C)(=O)=O)=O
Computed Properties
- Exact Mass: 232.99144
- Monoisotopic Mass: 232.9913420g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 301
- 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: 1.7
- Topological Polar Surface Area: 71.6?2
Experimental Properties
- PSA: 63.24
Benzoyl chloride, 4-[(methylsulfonyl)amino]- Related Literature
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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