Home Carbonyls 3-(ethoxycarbonyl)-2-fluorobenzoic acid

3-(ethoxycarbonyl)-2-fluorobenzoic acid

CAS No.:
1822763-38-1
Catalog Number:
AG01DJS9
Molecular Formula:
C10H9FO4
Molecular Weight:
212.1745
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Product Description
Catalog Number:
AG01DJS9
Chemical Name:
3-(ethoxycarbonyl)-2-fluorobenzoic acid
CAS Number:
1822763-38-1
Molecular Formula:
C10H9FO4
Molecular Weight:
212.1745
MDL Number:
MFCD22490879
IUPAC Name:
3-ethoxycarbonyl-2-fluorobenzoic acid
InChI:
InChI=1S/C10H9FO4/c1-2-15-10(14)7-5-3-4-6(8(7)11)9(12)13/h3-5H,2H2,1H3,(H,12,13)
InChI Key:
OTIWACFAXWIKKA-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cccc(c1F)C(=O)O
Properties
Complexity:
254  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.048g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
212.176g/mol
Monoisotopic Mass:
212.048g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties