Home Halogens 1-(4-bromo-3-fluorophenyl)propan-2-one

1-(4-bromo-3-fluorophenyl)propan-2-one

CAS No.:
1376059-63-0
Catalog Number:
AG019YDC
Molecular Formula:
C9H8BrFO
Molecular Weight:
231.0616
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Product Description
Catalog Number:
AG019YDC
Chemical Name:
1-(4-bromo-3-fluorophenyl)propan-2-one
CAS Number:
1376059-63-0
Molecular Formula:
C9H8BrFO
Molecular Weight:
231.0616
MDL Number:
MFCD11045171
IUPAC Name:
1-(4-bromo-3-fluorophenyl)propan-2-one
InChI:
InChI=1S/C9H8BrFO/c1-6(12)4-7-2-3-8(10)9(11)5-7/h2-3,5H,4H2,1H3
InChI Key:
ROXPVELGOJOGDC-UHFFFAOYSA-N
SMILES:
CC(=O)Cc1ccc(c(c1)F)Br
Properties
Complexity:
172  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.974g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.064g/mol
Monoisotopic Mass:
229.974g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties