3-bromo-1,1,1-trifluoro-2-methylpropane


Chemical Name: 3-bromo-1,1,1-trifluoro-2-methylpropane
CAS Number: 381-80-6
Product Number: AG01A1RQ(AGN-PC-0WO6MA)
Synonyms:
MDL No: MFCD20625147
Molecular Formula: C4H6BrF3
Molecular Weight: 190.9896

Identification/Properties


Computed Properties
Molecular Weight:
190.991g/mol
XLogP3:
2.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
189.96g/mol
Monoisotopic Mass:
189.96g/mol
Topological Polar Surface Area:
0A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
68.2
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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