Cas no 279246-01-4 (Carbamic acid, [(4-bromophenyl)sulfonyl]-, 1,1-dimethylethyl ester)
279246-01-4 structure
Product Name:Carbamic acid, [(4-bromophenyl)sulfonyl]-, 1,1-dimethylethyl ester
CAS No:279246-01-4
MF:C11H14BrNO4S
MW:336.202161312103
CID:1433028
PubChem ID:12166960
Update Time:2025-04-20
Carbamic acid, [(4-bromophenyl)sulfonyl]-, 1,1-dimethylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Carbamic acid, [(4-bromophenyl)sulfonyl]-, 1,1-dimethylethyl ester
- BCB04_000147
- 279246-01-4
- SCHEMBL4432604
- N-Boc-4-bromobenzenesulfonamide
- tert-Butyl ((4-bromophenyl)sulfonyl)carbamate
- ZHMQBCDWNRSKKR-UHFFFAOYSA-N
-
- Inchi: 1S/C11H14BrNO4S/c1-11(2,3)17-10(14)13-18(15,16)9-6-4-8(12)5-7-9/h4-7H,1-3H3,(H,13,14)
- InChI Key: ZHMQBCDWNRSKKR-UHFFFAOYSA-N
- SMILES: BrC1C=CC(=CC=1)S(NC(=O)OC(C)(C)C)(=O)=O
Computed Properties
- Exact Mass: 334.98269g/mol
- Monoisotopic Mass: 334.98269g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 388
- 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: 2.1
- Topological Polar Surface Area: 80.8?2
Carbamic acid, [(4-bromophenyl)sulfonyl]-, 1,1-dimethylethyl ester Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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