Home Other Building Blocks 1-(3-Bromophenyl)propan-1-one

1-(3-Bromophenyl)propan-1-one

CAS No.:
19829-31-3
Catalog Number:
AG002BF5
Molecular Formula:
C9H9BrO
Molecular Weight:
213.0712
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%forsynthesis
In Stock USA
United States
$36
- +
5g
98%
In Stock USA
United States
$38
- +
25g
95%forsynthesis
In Stock USA
United States
$103
- +
100g
95%forsynthesis
In Stock USA
United States
$325
- +
Product Description
Catalog Number:
AG002BF5
Chemical Name:
1-(3-Bromophenyl)propan-1-one
CAS Number:
19829-31-3
Molecular Formula:
C9H9BrO
Molecular Weight:
213.0712
MDL Number:
MFCD00000084
IUPAC Name:
1-(3-bromophenyl)propan-1-one
InChI:
InChI=1S/C9H9BrO/c1-2-9(11)7-4-3-5-8(10)6-7/h3-6H,2H2,1H3
InChI Key:
QSHLXVTVXQTHBS-UHFFFAOYSA-N
SMILES:
CCC(=O)c1cccc(c1)Br
EC Number:
243-353-8
Properties
Complexity:
145  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.984g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.074g/mol
Monoisotopic Mass:
211.984g/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  
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