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119577-50-3 | 3-Buten-2-one, 3-bromo-4-ethoxy-1,1,1-trifluoro-
CAS No: 119577-50-3 Catalog No: AG000IZ2 MDL No:MFCD06660659
Product Description
Catalog Number:
AG000IZ2
Chemical Name:
3-Buten-2-one, 3-bromo-4-ethoxy-1,1,1-trifluoro-
CAS Number:
119577-50-3
Molecular Formula:
C6H6BrF3O2
Molecular Weight:
247.0098
MDL Number:
MFCD06660659
IUPAC Name:
3-bromo-4-ethoxy-1,1,1-trifluorobut-3-en-2-one
InChI:
InChI=1S/C6H6BrF3O2/c1-2-12-3-4(7)5(11)6(8,9)10/h3H,2H2,1H3
InChI Key:
ONAMOZNIUGKDIK-UHFFFAOYSA-N
SMILES:
CCOC=C(C(=O)C(F)(F)F)Br
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.95g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.011g/mol
Monoisotopic Mass:
245.95g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.5
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