Home Other Building Blocks (3E)-4-(2-Chloro-6-fluorophenyl)but-3-en-2-one

(3E)-4-(2-Chloro-6-fluorophenyl)but-3-en-2-one

CAS No.:
175136-82-0
Catalog Number:
AG0020AK
Molecular Formula:
C10H8ClFO
Molecular Weight:
198.6213
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$13
- +
5g
96%
In Stock USA
United States
$49
- +
25g
96%
In Stock USA
United States
$165
- +
Product Description
Catalog Number:
AG0020AK
Chemical Name:
(3E)-4-(2-Chloro-6-fluorophenyl)but-3-en-2-one
CAS Number:
175136-82-0
Molecular Formula:
C10H8ClFO
Molecular Weight:
198.6213
MDL Number:
MFCD00051608
IUPAC Name:
(E)-4-(2-chloro-6-fluorophenyl)but-3-en-2-one
InChI:
InChI=1S/C10H8ClFO/c1-7(13)5-6-8-9(11)3-2-4-10(8)12/h2-6H,1H3/b6-5+
InChI Key:
VZRBDBXFAKDNDJ-AATRIKPKSA-N
SMILES:
CC(=O)C=Cc1c(F)cccc1Cl
Properties
Complexity:
215  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
198.025g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.621g/mol
Monoisotopic Mass:
198.025g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties