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773135-05-0 | 4-Fluoro-3-methoxybenzoic acid ethyl ester
CAS No: 773135-05-0 Catalog No: AG01EXCV MDL No:
Product Description
Catalog Number:
AG01EXCV
Chemical Name:
4-Fluoro-3-methoxybenzoic acid ethyl ester
CAS Number:
773135-05-0
Molecular Formula:
C10H11FO3
Molecular Weight:
198.1909
IUPAC Name:
ethyl 4-fluoro-3-methoxybenzoate
InChI:
InChI=1S/C10H11FO3/c1-3-14-10(12)7-4-5-8(11)9(6-7)13-2/h4-6H,3H2,1-2H3
InChI Key:
GPHIUMGSWGNVGW-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(c(c1)OC)F
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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