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Home > Fluorides > 128426-86-8
128426-86-8 | Benzoic acid, 3-(difluoromethoxy)-2,4,5-trifluoro-
CAS No: 128426-86-8 Catalog No: AG000Y3M MDL No:MFCD06410916
Product Description
Catalog Number:
AG000Y3M
Chemical Name:
Benzoic acid, 3-(difluoromethoxy)-2,4,5-trifluoro-
CAS Number:
128426-86-8
Molecular Formula:
C8H3F5O3
Molecular Weight:
242.0996
MDL Number:
MFCD06410916
IUPAC Name:
3-(difluoromethoxy)-2,4,5-trifluorobenzoic acid
InChI:
InChI=1S/C8H3F5O3/c9-3-1-2(7(14)15)4(10)6(5(3)11)16-8(12)13/h1,8H,(H,14,15)
InChI Key:
XKNIFQLRUBLKKI-UHFFFAOYSA-N
SMILES:
FC(Oc1c(F)c(cc(c1F)F)C(=O)O)F
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.101g/mol
Monoisotopic Mass:
242g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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