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Home > Fluorides > 1221179-04-9
1221179-04-9 | Benzoic acid, 2-fluoro-4-(phenylmethoxy)-, methyl ester
CAS No: 1221179-04-9 Catalog No: AG0016SO MDL No:MFCD19684121
Product Description
Catalog Number:
AG0016SO
Chemical Name:
Benzoic acid, 2-fluoro-4-(phenylmethoxy)-, methyl ester
CAS Number:
1221179-04-9
Molecular Formula:
C15H13FO3
Molecular Weight:
260.2603
MDL Number:
MFCD19684121
IUPAC Name:
methyl 2-fluoro-4-phenylmethoxybenzoate
InChI:
InChI=1S/C15H13FO3/c1-18-15(17)13-8-7-12(9-14(13)16)19-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChI Key:
SLDWWTLOLSEPBL-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1F)OCc1ccccc1
Properties
Complexity:
289
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:
3.3
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