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127980-13-6 | 5-Fluoro-2-n-propoxybenzoic acid
CAS No: 127980-13-6 Catalog No: AG01FEMO MDL No:
Product Description
Catalog Number:
AG01FEMO
Chemical Name:
5-Fluoro-2-n-propoxybenzoic acid
CAS Number:
127980-13-6
Molecular Formula:
C10H11FO3
Molecular Weight:
198.1909
IUPAC Name:
5-fluoro-2-propoxybenzoic acid
InChI:
InChI=1S/C10H11FO3/c1-2-5-14-9-4-3-7(11)6-8(9)10(12)13/h3-4,6H,2,5H2,1H3,(H,12,13)
InChI Key:
KRKMAJFXGVTCMB-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(cc1C(=O)O)F
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:
1
Isotope Atom Count:
0
Molecular Weight:
198.193g/mol
Monoisotopic Mass:
198.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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