Home Halogens 1-Propanone, 1-(3-bromo-4-fluorophenyl)-

1-Propanone, 1-(3-bromo-4-fluorophenyl)-

CAS No.:
202865-82-5
Catalog Number:
AG0028I5
Molecular Formula:
C9H8BrFO
Molecular Weight:
231.0616
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Product Description
Catalog Number:
AG0028I5
Chemical Name:
1-Propanone, 1-(3-bromo-4-fluorophenyl)-
CAS Number:
202865-82-5
Molecular Formula:
C9H8BrFO
Molecular Weight:
231.0616
MDL Number:
MFCD00143012
IUPAC Name:
1-(3-bromo-4-fluorophenyl)propan-1-one
InChI:
InChI=1S/C9H8BrFO/c1-2-9(12)6-3-4-8(11)7(10)5-6/h3-5H,2H2,1H3
InChI Key:
IZSXDWBFACKNSW-UHFFFAOYSA-N
SMILES:
CCC(=O)c1ccc(c(c1)Br)F
EC Number:
606-500-0
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:
2.9  
Properties