Cas no 820231-67-2 (1,3-Benzenedicarboxamide, 5-bromo-N,N'-bis(1,1-dimethylethyl)-)
820231-67-2 structure
Product Name:1,3-Benzenedicarboxamide, 5-bromo-N,N'-bis(1,1-dimethylethyl)-
CAS No:820231-67-2
MF:C16H23BrN2O2
MW:355.270023584366
CID:700909
PubChem ID:71420450
Update Time:2025-04-19
1,3-Benzenedicarboxamide, 5-bromo-N,N'-bis(1,1-dimethylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenedicarboxamide, 5-bromo-N,N'-bis(1,1-dimethylethyl)-
- 5-bromo-1-N,3-N-ditert-butylbenzene-1,3-dicarboxamide
- 1,3-Benzenedicarboxamide,5-bromo-N,N'-bis(1,1-dimethylethyl)
- DTXSID40839639
- 820231-67-2
- 5-Bromo-N~1~,N~3~-di-tert-butylbenzene-1,3-dicarboxamide
-
- Inchi： 1S/C16H23BrN2O2/c1-15(2,3)18-13(20)10-7-11(9-12(17)8-10)14(21)19-16(4,5)6/h7-9H,1-6H3,(H,18,20)(H,19,21)
- InChI Key： ODQSNDWRZKSUNN-UHFFFAOYSA-N
- SMILES： BrC1C=C(C=C(C=1)C(NC(C)(C)C)=O)C(NC(C)(C)C)=O
Computed Properties
- Exact Mass: 354.09400
- Monoisotopic Mass: 354.09429g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 21
- Rotatable Bond Count: 4
- Complexity: 360
- 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: 3.1
- Topological Polar Surface Area: 58.2?2
Experimental Properties
- PSA: 65.18000
- LogP: 4.65530
1,3-Benzenedicarboxamide, 5-bromo-N,N'-bis(1,1-dimethylethyl)- Related Literature
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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