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91361-58-9 | Benzeneacetic acid, 2-fluoro-4-methoxy-, methyl ester
CAS No: 91361-58-9 Catalog No: AG01F8DH MDL No:
Product Description
Catalog Number:
AG01F8DH
Chemical Name:
Benzeneacetic acid, 2-fluoro-4-methoxy-, methyl ester
CAS Number:
91361-58-9
Molecular Formula:
C10H11FO3
Molecular Weight:
198.1909
IUPAC Name:
methyl 2-(2-fluoro-4-methoxyphenyl)acetate
InChI:
InChI=1S/C10H11FO3/c1-13-8-4-3-7(9(11)6-8)5-10(12)14-2/h3-4,6H,5H2,1-2H3
InChI Key:
YAKUWANKCCMBRN-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1ccc(cc1F)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:
1.8
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