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Home > Fluorides > 128426-70-0
128426-70-0 | Benzoic acid, 3-(difluoromethoxy)-2,4,5-trifluoro-6-nitro-
CAS No: 128426-70-0 Catalog No: AG000Y3N MDL No:
Product Description
Catalog Number:
AG000Y3N
Chemical Name:
Benzoic acid, 3-(difluoromethoxy)-2,4,5-trifluoro-6-nitro-
CAS Number:
128426-70-0
Molecular Formula:
C8H2F5NO5
Molecular Weight:
287.0972
IUPAC Name:
3-(difluoromethoxy)-2,4,5-trifluoro-6-nitrobenzoic acid
InChI:
InChI=1S/C8H2F5NO5/c9-2-1(7(15)16)5(14(17)18)3(10)4(11)6(2)19-8(12)13/h8H,(H,15,16)
InChI Key:
LLEOOHINZYZBQQ-UHFFFAOYSA-N
SMILES:
FC(Oc1c(F)c(C(=O)O)c(c(c1F)F)[N+](=O)[O-])F
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.985g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.098g/mol
Monoisotopic Mass:
286.985g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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