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Home Other Building Blocks Diethyl Fluoromalonate

Diethyl Fluoromalonate

CAS No.:
685-88-1
Catalog Number:
AG0034QB
Molecular Formula:
C7H11FO4
Molecular Weight:
178.1582
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$33
- +
5g
95%
In Stock USA
United States
$54
- +
25g
95%
In Stock USA
United States
$123
- +
100g
95%
In Stock USA
United States
$387
- +
Product Description
Catalog Number:
AG0034QB
Chemical Name:
Diethyl Fluoromalonate
CAS Number:
685-88-1
Molecular Formula:
C7H11FO4
Molecular Weight:
178.1582
MDL Number:
MFCD10700134
IUPAC Name:
diethyl 2-fluoropropanedioate
InChI:
InChI=1S/C7H11FO4/c1-3-11-6(9)5(8)7(10)12-4-2/h5H,3-4H2,1-2H3
InChI Key:
GOWQBFVDZPZZFA-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)OCC)F
EC Number:
211-684-7
NSC Number:
521723
Properties
Complexity:
151  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.064g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.159g/mol
Monoisotopic Mass:
178.064g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Literature
Title Journal
Solving quantum ground-state problems with nuclear magnetic resonance. Scientific reports 20110101
Palladium-catalyzed arylation of malonates and cyanoesters using sterically hindered trialkyl- and ferrocenyldialkylphosphine ligands. The Journal of organic chemistry 20020125
Properties