Home Halogens 1-(4-bromo-2-fluorophenyl)prop-2-yn-1-one

1-(4-bromo-2-fluorophenyl)prop-2-yn-1-one

CAS No.:
1601693-72-4
Catalog Number:
AG01BHO9
Molecular Formula:
C9H4BrFO
Molecular Weight:
227.0299
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Product Description
Catalog Number:
AG01BHO9
Chemical Name:
1-(4-bromo-2-fluorophenyl)prop-2-yn-1-one
CAS Number:
1601693-72-4
Molecular Formula:
C9H4BrFO
Molecular Weight:
227.0299
MDL Number:
MFCD28145351
IUPAC Name:
1-(4-bromo-2-fluorophenyl)prop-2-yn-1-one
InChI:
InChI=1S/C9H4BrFO/c1-2-9(12)7-4-3-6(10)5-8(7)11/h1,3-5H
InChI Key:
FNRPNYUZMCSPNC-UHFFFAOYSA-N
SMILES:
C#CC(=O)c1ccc(cc1F)Br
Properties
Complexity:
230  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.943g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.032g/mol
Monoisotopic Mass:
225.943g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties