Home Halogens 1-(4-Bromophenyl)-3-chloropropan-1-one

1-(4-Bromophenyl)-3-chloropropan-1-one

CAS No.:
31736-73-9
Catalog Number:
AG003KY0
Molecular Formula:
C9H8BrClO
Molecular Weight:
247.5162
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$18
- +
25g
98%
In Stock USA
United States
$69
- +
Product Description
Catalog Number:
AG003KY0
Chemical Name:
1-(4-Bromophenyl)-3-chloropropan-1-one
CAS Number:
31736-73-9
Molecular Formula:
C9H8BrClO
Molecular Weight:
247.5162
MDL Number:
MFCD00018979
IUPAC Name:
1-(4-bromophenyl)-3-chloropropan-1-one
InChI:
InChI=1S/C9H8BrClO/c10-8-3-1-7(2-4-8)9(12)5-6-11/h1-4H,5-6H2
InChI Key:
SYWQQEVHZPPLNQ-UHFFFAOYSA-N
SMILES:
ClCCC(=O)c1ccc(cc1)Br
EC Number:
250-784-5
NSC Number:
36071
Properties
Complexity:
153  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.945g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.516g/mol
Monoisotopic Mass:
245.945g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Literature
Title Journal
Theoretical and experimental studies of vibrational spectra and thermodynamical analysis of 3'-bromopropiophenone and 4'-bromo-3-chloropropiophenone. Journal of molecular modeling 20110701
Properties