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Home Other Building Blocks Ethyl 4-fluorobenzoate

Ethyl 4-fluorobenzoate

CAS No.:
451-46-7
Catalog Number:
AG0034V9
Molecular Formula:
C9H9FO2
Molecular Weight:
168.1650
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
98%
In Stock USA
United States
$25
- +
100g
98%
In Stock USA
United States
$63
- +
500g
98%
In Stock USA
United States
$188
- +
Product Description
Catalog Number:
AG0034V9
Chemical Name:
Ethyl 4-fluorobenzoate
CAS Number:
451-46-7
Molecular Formula:
C9H9FO2
Molecular Weight:
168.1650
MDL Number:
MFCD00000351
IUPAC Name:
ethyl 4-fluorobenzoate
InChI:
InChI=1S/C9H9FO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3
InChI Key:
UMPRJGKLMUDRHL-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)F
EC Number:
207-194-8
NSC Number:
190692
Properties
Complexity:
151  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.059g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.167g/mol
Monoisotopic Mass:
168.059g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Literature
Title Journal
Synthesis, structural studies and antitumoral evaluation of C-6 alkyl and alkenyl side chain pyrimidine derivatives. Molecules (Basel, Switzerland) 20091127
tert-Butyl N-benzyl-N-[4-(4-fluoro-benzoyl-meth-yl)-2-pyrid-yl]carbamate. Acta crystallographica. Section E, Structure reports online 20081101
Properties