Cas no 444-02-0 ( )
structure
Product Name:
Chemical and Physical Properties
Names and Identifiers
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- 2-bromo-3-fluoro-4,6-dimethylaniline
- 2-Brom-3-fluor-4,6-dimethyl-anilin
- 2-bromo-3-fluoro-4,6-dimethyl-aniline
- DTXSID70303595
- NSC-159249
- NSC159249
- 444-02-0
-
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- Inchi： 1S/C8H9BrFN/c1-4-3-5(2)8(11)6(9)7(4)10/h3H,11H2,1-2H3
- InChI Key： XBOBKAUHRIOAJO-UHFFFAOYSA-N
- SMILES： BrC1=C(C(C)=CC(C)=C1N)F
Computed Properties
- Exact Mass: 216.99000
- Monoisotopic Mass: 216.99
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 142
- 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: 26?2
Experimental Properties
- Density: 1.507
- Boiling Point: 262.7°C at 760 mmHg
- Flash Point: 112.7°C
- Refractive Index: 1.575
- PSA: 26.02000
- LogP: 3.36840
Related Literature
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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