Home Halogens 2-bromo-1-(4-fluoro-3-methylphenyl)ethan-1-one

2-bromo-1-(4-fluoro-3-methylphenyl)ethan-1-one

CAS No.:
63529-31-7
Catalog Number:
AG00JSMU
Molecular Formula:
C9H8BrFO
Molecular Weight:
231.0616
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Product Description
Catalog Number:
AG00JSMU
Chemical Name:
2-bromo-1-(4-fluoro-3-methylphenyl)ethan-1-one
CAS Number:
63529-31-7
Molecular Formula:
C9H8BrFO
Molecular Weight:
231.0616
MDL Number:
MFCD18089176
IUPAC Name:
2-bromo-1-(4-fluoro-3-methylphenyl)ethanone
InChI:
InChI=1S/C9H8BrFO/c1-6-4-7(9(12)5-10)2-3-8(6)11/h2-4H,5H2,1H3
InChI Key:
PFWAGSRBBGFIOF-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1ccc(c(c1)C)F
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