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1443333-60-5 | 5-Fluoro-3-n-hexyloxybenzoic acid
CAS No: 1443333-60-5 Catalog No: AG01FEGE MDL No:
Product Description
Catalog Number:
AG01FEGE
Chemical Name:
5-Fluoro-3-n-hexyloxybenzoic acid
CAS Number:
1443333-60-5
Molecular Formula:
C13H17FO3
Molecular Weight:
240.2707
IUPAC Name:
3-fluoro-5-hexoxybenzoic acid
InChI:
InChI=1S/C13H17FO3/c1-2-3-4-5-6-17-12-8-10(13(15)16)7-11(14)9-12/h7-9H,2-6H2,1H3,(H,15,16)
InChI Key:
NLRIHJWAPCXGOO-UHFFFAOYSA-N
SMILES:
CCCCCCOc1cc(F)cc(c1)C(=O)O
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.116g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.274g/mol
Monoisotopic Mass:
240.116g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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