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Home > Fluorides > 1275432-84-2
1275432-84-2 | 3,5-Difluoro-4-(oxan-4-yloxy)benzoic acid
CAS No: 1275432-84-2 Catalog No: AG01FBJS MDL No:
Product Description
Catalog Number:
AG01FBJS
Chemical Name:
3,5-Difluoro-4-(oxan-4-yloxy)benzoic acid
CAS Number:
1275432-84-2
Molecular Formula:
C12H12F2O4
Molecular Weight:
258.2181
IUPAC Name:
3,5-difluoro-4-(oxan-4-yloxy)benzoic acid
InChI:
InChI=1S/C12H12F2O4/c13-9-5-7(12(15)16)6-10(14)11(9)18-8-1-3-17-4-2-8/h5-6,8H,1-4H2,(H,15,16)
InChI Key:
SZLUDKLZKJXPRU-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(F)c(c(c1)F)OC1CCOCC1
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.07g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.221g/mol
Monoisotopic Mass:
258.07g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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