Cas no 139572-70-6 (1H-Isoindole-1,3(2H)-dione, 4-bromo-2-butyl-)
139572-70-6 structure
Product Name:1H-Isoindole-1,3(2H)-dione, 4-bromo-2-butyl-
CAS No:139572-70-6
MF:C12H12BrNO2
MW:282.133182525635
CID:1275393
PubChem ID:71342941
Update Time:2025-04-20
1H-Isoindole-1,3(2H)-dione, 4-bromo-2-butyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Isoindole-1,3(2H)-dione, 4-bromo-2-butyl-
- 4-bromo-2-butylisoindole-1,3-dione
- 4-Bromo-2-butyl-1H-isoindole-1,3(2H)-dione
- DTXSID40769624
- 139572-70-6
-
- Inchi： 1S/C12H12BrNO2/c1-2-3-7-14-11(15)8-5-4-6-9(13)10(8)12(14)16/h4-6H,2-3,7H2,1H3
- InChI Key： HOWRJUPNTLXTQE-UHFFFAOYSA-N
- SMILES： BrC1=CC=CC2C(N(C(C=21)=O)CCCC)=O
Computed Properties
- Exact Mass: 281.00516
- Monoisotopic Mass: 281.00514g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 305
- 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: 2.8
- Topological Polar Surface Area: 37.4?2
Experimental Properties
- PSA: 37.38
1H-Isoindole-1,3(2H)-dione, 4-bromo-2-butyl- Related Literature
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
139572-70-6 (1H-Isoindole-1,3(2H)-dione, 4-bromo-2-butyl-) Related Products
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