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Home > Fluorides > 1283981-13-4
1283981-13-4 | 3,5-Difluoro-4-(oxan-4-ylmethoxy)benzoicacid
CAS No: 1283981-13-4 Catalog No: AG01FAM3 MDL No:
Product Description
Catalog Number:
AG01FAM3
Chemical Name:
3,5-Difluoro-4-(oxan-4-ylmethoxy)benzoicacid
CAS Number:
1283981-13-4
Molecular Formula:
C13H14F2O4
Molecular Weight:
272.2447
IUPAC Name:
3,5-difluoro-4-(oxan-4-ylmethoxy)benzoic acid
InChI:
InChI=1S/C13H14F2O4/c14-10-5-9(13(16)17)6-11(15)12(10)19-7-8-1-3-18-4-2-8/h5-6,8H,1-4,7H2,(H,16,17)
InChI Key:
AMEYIKSIZIDXSV-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(F)c(c(c1)F)OCC1CCOCC1
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.086g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.248g/mol
Monoisotopic Mass:
272.086g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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