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Home > Fluorides > 1402232-56-7
1402232-56-7 | 3-Fluoro-4-(oxan-4-ylmethoxy)benzoic acid
CAS No: 1402232-56-7 Catalog No: AG01FBMF MDL No:
Product Description
Catalog Number:
AG01FBMF
Chemical Name:
3-Fluoro-4-(oxan-4-ylmethoxy)benzoic acid
CAS Number:
1402232-56-7
Molecular Formula:
C13H15FO4
Molecular Weight:
254.2542
IUPAC Name:
3-fluoro-4-(oxan-4-ylmethoxy)benzoic acid
InChI:
InChI=1S/C13H15FO4/c14-11-7-10(13(15)16)1-2-12(11)18-8-9-3-5-17-6-4-9/h1-2,7,9H,3-6,8H2,(H,15,16)
InChI Key:
LHMSQNMXMRGKHC-UHFFFAOYSA-N
SMILES:
Fc1cc(ccc1OCC1CCOCC1)C(=O)O
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.095g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.257g/mol
Monoisotopic Mass:
254.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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