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101931-62-8 | 2-Pentanone, 1-bromo-5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)-
CAS No: 101931-62-8 Catalog No: AG000602 MDL No:
Product Description
Catalog Number:
AG000602
Chemical Name:
2-Pentanone, 1-bromo-5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)-
CAS Number:
101931-62-8
Molecular Formula:
C6H5BrF6O2
Molecular Weight:
302.9971
IUPAC Name:
1-bromo-5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentan-2-one
InChI:
InChI=1S/C6H5BrF6O2/c7-2-3(14)1-4(15,5(8,9)10)6(11,12)13/h15H,1-2H2
InChI Key:
MTVWNJLYMMAKPQ-UHFFFAOYSA-N
SMILES:
BrCC(=O)CC(C(F)(F)F)(C(F)(F)F)O
NSC Number:
159989
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.938g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.998g/mol
Monoisotopic Mass:
301.938g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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