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Home > Fluorides > 1314987-36-4
1314987-36-4 | Benzoic acid, 4-ethoxy-2-fluoro-, methyl ester
CAS No: 1314987-36-4 Catalog No: AG000WBR MDL No:MFCD19684122
Product Description
Catalog Number:
AG000WBR
Chemical Name:
Benzoic acid, 4-ethoxy-2-fluoro-, methyl ester
CAS Number:
1314987-36-4
Molecular Formula:
C10H11FO3
Molecular Weight:
198.1909
MDL Number:
MFCD19684122
IUPAC Name:
methyl 4-ethoxy-2-fluorobenzoate
InChI:
InChI=1S/C10H11FO3/c1-3-14-7-4-5-8(9(11)6-7)10(12)13-2/h4-6H,3H2,1-2H3
InChI Key:
MMXAHLLOLGYERA-UHFFFAOYSA-N
SMILES:
CCOc1ccc(c(c1)F)C(=O)OC
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.069g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.193g/mol
Monoisotopic Mass:
198.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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