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Home > Fluorides > 1349717-87-8
1349717-87-8 | 3,5-Difluoro-4-(oxetan-3-yloxy)benzoic acid
CAS No: 1349717-87-8 Catalog No: AG01FAXG MDL No:
Product Description
Catalog Number:
AG01FAXG
Chemical Name:
3,5-Difluoro-4-(oxetan-3-yloxy)benzoic acid
CAS Number:
1349717-87-8
Molecular Formula:
C10H8F2O4
Molecular Weight:
230.1649
IUPAC Name:
3,5-difluoro-4-(oxetan-3-yloxy)benzoic acid
InChI:
InChI=1S/C10H8F2O4/c11-7-1-5(10(13)14)2-8(12)9(7)16-6-3-15-4-6/h1-2,6H,3-4H2,(H,13,14)
InChI Key:
CZFAHXITHNSBSF-UHFFFAOYSA-N
SMILES:
Fc1cc(cc(c1OC1COC1)F)C(=O)O
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.039g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.167g/mol
Monoisotopic Mass:
230.039g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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