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Home > Fluorides > 851664-22-7
851664-22-7 | Benzoic acid, 2-[(4-fluorophenyl)methoxy]-, methyl ester
CAS No: 851664-22-7 Catalog No: AG004WS0 MDL No:
Product Description
Catalog Number:
AG004WS0
Chemical Name:
Benzoic acid, 2-[(4-fluorophenyl)methoxy]-, methyl ester
CAS Number:
851664-22-7
Molecular Formula:
C15H13FO3
Molecular Weight:
260.2603
IUPAC Name:
methyl 2-[(4-fluorophenyl)methoxy]benzoate
InChI:
InChI=1S/C15H13FO3/c1-18-15(17)13-4-2-3-5-14(13)19-10-11-6-8-12(16)9-7-11/h2-9H,10H2,1H3
InChI Key:
YUGQQCIXZCZTBJ-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccccc1OCc1ccc(cc1)F
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.085g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.264g/mol
Monoisotopic Mass:
260.085g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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