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1443333-96-7 | 5-Fluoro-3-n-pentoxybenzoic acid
CAS No: 1443333-96-7 Catalog No: AG01FEPZ MDL No:
Product Description
Catalog Number:
AG01FEPZ
Chemical Name:
5-Fluoro-3-n-pentoxybenzoic acid
CAS Number:
1443333-96-7
Molecular Formula:
C12H15FO3
Molecular Weight:
226.2441
IUPAC Name:
3-fluoro-5-pentoxybenzoic acid
InChI:
InChI=1S/C12H15FO3/c1-2-3-4-5-16-11-7-9(12(14)15)6-10(13)8-11/h6-8H,2-5H2,1H3,(H,14,15)
InChI Key:
LAGRQHBINWAZHP-UHFFFAOYSA-N
SMILES:
CCCCCOc1cc(F)cc(c1)C(=O)O
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.101g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.247g/mol
Monoisotopic Mass:
226.101g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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