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Home > Fluorides > 1214332-62-3
1214332-62-3 | 3-Fluoro-5-methoxybenzoic acid ethyl ester
CAS No: 1214332-62-3 Catalog No: AG01FB6E MDL No:
Product Description
Catalog Number:
AG01FB6E
Chemical Name:
3-Fluoro-5-methoxybenzoic acid ethyl ester
CAS Number:
1214332-62-3
Molecular Formula:
C10H11FO3
Molecular Weight:
198.1909
IUPAC Name:
ethyl 3-fluoro-5-methoxybenzoate
InChI:
InChI=1S/C10H11FO3/c1-3-14-10(12)7-4-8(11)6-9(5-7)13-2/h4-6H,3H2,1-2H3
InChI Key:
AIUQBGJBFLIAEX-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(F)cc(c1)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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