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125721-49-5 | Benzeneacetic acid, 3-[(4-fluorophenyl)methoxy]-
CAS No: 125721-49-5 Catalog No: AG000OJJ MDL No:MFCD08061097
Product Description
Catalog Number:
AG000OJJ
Chemical Name:
Benzeneacetic acid, 3-[(4-fluorophenyl)methoxy]-
CAS Number:
125721-49-5
Molecular Formula:
C15H13FO3
Molecular Weight:
260.2603
MDL Number:
MFCD08061097
IUPAC Name:
2-[3-[(4-fluorophenyl)methoxy]phenyl]acetic acid
InChI:
InChI=1S/C15H13FO3/c16-13-6-4-11(5-7-13)10-19-14-3-1-2-12(8-14)9-15(17)18/h1-8H,9-10H2,(H,17,18)
InChI Key:
CELQIKDLMWUHKP-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cccc(c1)OCc1ccc(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:
1
Isotope Atom Count:
0
Molecular Weight:
260.264g/mol
Monoisotopic Mass:
260.085g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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