sales@angenesci.com
Login | Register
logo
Structures Search
Home Halogens 1-(4-t-Butylphenyl)-3-chloropropan-1-one

1-(4-t-Butylphenyl)-3-chloropropan-1-one

CAS No.:
28547-33-3
Catalog Number:
AG002VP4
Molecular Formula:
C13H17ClO
Molecular Weight:
224.7265
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$75
- +
5g
98%
In Stock USA
United States
$225
- +
25g
98%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG002VP4
Chemical Name:
1-(4-t-Butylphenyl)-3-chloropropan-1-one
CAS Number:
28547-33-3
Molecular Formula:
C13H17ClO
Molecular Weight:
224.7265
MDL Number:
MFCD11504951
IUPAC Name:
1-(4-tert-butylphenyl)-3-chloropropan-1-one
InChI:
InChI=1S/C13H17ClO/c1-13(2,3)11-6-4-10(5-7-11)12(15)8-9-14/h4-7H,8-9H2,1-3H3
InChI Key:
RWKVKFPYVTZRHS-UHFFFAOYSA-N
SMILES:
ClCCC(=O)c1ccc(cc1)C(C)(C)C
Properties
Complexity:
209  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.097g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.728g/mol
Monoisotopic Mass:
224.097g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Properties