Cas no 496874-88-5 (Imidodicarbonic acid, (2-bromophenyl)-, 1,1-dimethylethyl methyl ester (9CI))
496874-88-5 structure
Product Name:Imidodicarbonic acid, (2-bromophenyl)-, 1,1-dimethylethyl methyl ester (9CI)
CAS No:496874-88-5
MF:C13H16BrNO4
MW:330.174443244934
CID:932646
Update Time:2024-06-13
Imidodicarbonic acid, (2-bromophenyl)-, 1,1-dimethylethyl methyl ester (9CI) Chemical and Physical Properties
Names and Identifiers
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- Imidodicarbonic acid, (2-bromophenyl)-, 1,1-dimethylethyl methyl ester (9CI)
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- Inchi： 1S/C13H16BrNO4/c1-13(2,3)19-12(17)15(11(16)18-4)10-8-6-5-7-9(10)14/h5-8H,1-4H3
- InChI Key： FSDQHCAIPRBAFF-UHFFFAOYSA-N
- SMILES： C(OC(C)(C)C)(=O)N(C1=CC=CC=C1Br)C(OC)=O
Computed Properties
- Exact Mass: 329.026
- Monoisotopic Mass: 329.026
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 340
- 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
Imidodicarbonic acid, (2-bromophenyl)-, 1,1-dimethylethyl methyl ester (9CI) Related Literature
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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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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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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