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864178-57-4 | Ethyl 4-ethoxy-3-fluorobenzoate
CAS No: 864178-57-4 Catalog No: AG01FEYT MDL No:MFCD25368911
Product Description
Catalog Number:
AG01FEYT
Chemical Name:
Ethyl 4-ethoxy-3-fluorobenzoate
CAS Number:
864178-57-4
Molecular Formula:
C11H13FO3
Molecular Weight:
212.2175
MDL Number:
MFCD25368911
IUPAC Name:
ethyl 4-ethoxy-3-fluorobenzoate
InChI:
InChI=1S/C11H13FO3/c1-3-14-10-6-5-8(7-9(10)12)11(13)15-4-2/h5-7H,3-4H2,1-2H3
InChI Key:
HWERWZAJZBTBMS-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(c(c1)F)OCC
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.085g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.22g/mol
Monoisotopic Mass:
212.085g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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