Home Fluorides 100701-49-3
100701-49-3,MFCD20640383
Catalog No.:AA0002LC
100701-49-3 | Propanedioic acid, 2-fluoro-, 1-ethyl ester
Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95.0%
3 weeks  
$446.00   $312.00
- +
500mg
95.0%
3 weeks  
$771.00   $540.00
- +
1g
95.0%
3 weeks  
$971.00   $680.00
- +
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Technical Information
Catalog Number:
AA0002LC
Chemical Name:
Propanedioic acid, 2-fluoro-, 1-ethyl ester
CAS Number:
100701-49-3
Molecular Formula:
C5H6FO4-
Molecular Weight:
149.0971
MDL Number:
MFCD20640383
IUPAC Name:
3-ethoxy-2-fluoro-3-oxopropanoic acid
InChI:
InChI=1S/C5H7FO4/c1-2-10-5(9)3(6)4(7)8/h3H,2H2,1H3,(H,7,8)
InChI Key:
MBHUWFBTQONAMA-UHFFFAOYSA-N
SMILES:
[O-]C(=O)C(C(=O)OCC)F
Properties
Computed Properties
 
Complexity:
145  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.033g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
150.105g/mol
Monoisotopic Mass:
150.033g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  

Synonyms
 
3-ethoxy-2-fluoro-3-oxopropanoic acid 
100701-49-3 
Propanedioicacid,fluoro-,monoethylester 
Propanedioic acid, 2-fluoro-, 1-ethyl ester 
SCHEMBL8923960 
MBHUWFBTQONAMA-UHFFFAOYSA-N 
2-fluoromalonic acid monoethyl ester 
AKOS026730240 
3-Ethoxy-2-fluoro-3-oxopropionic acid 
NE54234 
Propanedioic acid,2-fluoro-,1-ethyl ester 
Literature
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