Home Other Building Blocks 2-(4-Fluorobenzyl)-acetoacetic acid ethyl ester

2-(4-Fluorobenzyl)-acetoacetic acid ethyl ester

CAS No.:
88023-07-8
Catalog Number:
AG00GT2I
Molecular Formula:
C13H15FO3
Molecular Weight:
238.2548
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
1 week
United States
$66
- +
1g
1 week
United States
$114
- +
5g
1 week
United States
$260
- +
Product Description
Catalog Number:
AG00GT2I
Chemical Name:
2-(4-Fluorobenzyl)-acetoacetic acid ethyl ester
CAS Number:
88023-07-8
Molecular Formula:
C13H15FO3
Molecular Weight:
238.2548
MDL Number:
MFCD00068091
IUPAC Name:
ethyl 2-[(4-fluorophenyl)methyl]-3-oxobutanoate
InChI:
InChI=1S/C13H15FO3/c1-3-17-13(16)12(9(2)15)8-10-4-6-11(14)7-5-10/h4-7,12H,3,8H2,1-2H3
InChI Key:
FPUWDEBQJSMTIY-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)C)Cc1ccc(cc1)F
Properties
Complexity:
270  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.101g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.258g/mol
Monoisotopic Mass:
238.101g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties