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117252-08-1 | Benzoic acid, 4-fluoro-3-phenoxy-, methyl ester
CAS No: 117252-08-1 Catalog No: AG000E0H MDL No:
Product Description
Catalog Number:
AG000E0H
Chemical Name:
Benzoic acid, 4-fluoro-3-phenoxy-, methyl ester
CAS Number:
117252-08-1
Molecular Formula:
C14H11FO3
Molecular Weight:
246.2337
IUPAC Name:
methyl 4-fluoro-3-phenoxybenzoate
InChI:
InChI=1S/C14H11FO3/c1-17-14(16)10-7-8-12(15)13(9-10)18-11-5-3-2-4-6-11/h2-9H,1H3
InChI Key:
JYKULQBXNKHHEF-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)Oc1ccccc1)F
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.069g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.237g/mol
Monoisotopic Mass:
246.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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