Cas no 35122-97-5 (3,5-dibromo-phenyl isocyanate)
3,5-dibromo-phenyl isocyanate structure
Product Name:3,5-dibromo-phenyl isocyanate
CAS No:35122-97-5
MF:C7H3Br2NO
MW:276.912820100784
CID:1005865
PubChem ID:20342293
Update Time:2025-04-20
3,5-dibromo-phenyl isocyanate Chemical and Physical Properties
Names and Identifiers
-
- 3,5-dibromo-phenyl isocyanate
- 1,3-dibromo-5-isocyanatobenzene
- 35122-97-5
- SCHEMBL11340895
- DTXSID60605717
-
- Inchi： 1S/C7H3Br2NO/c8-5-1-6(9)3-7(2-5)10-4-11/h1-3H
- InChI Key： LWZINQDLMRXGHY-UHFFFAOYSA-N
- SMILES： BrC1C=C(C=C(C=1)N=C=O)Br
Computed Properties
- Exact Mass: 276.85609g/mol
- Monoisotopic Mass: 274.85814g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 169
- 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: 4.1
- Topological Polar Surface Area: 29.4?2
3,5-dibromo-phenyl isocyanate 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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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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