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Home > Fluorides > 1157093-09-8
1157093-09-8 | Benzoic acid, 2-(3,4-difluorophenoxy)-5-fluoro-
CAS No: 1157093-09-8 Catalog No: AG000GRL MDL No:
Product Description
Catalog Number:
AG000GRL
Chemical Name:
Benzoic acid, 2-(3,4-difluorophenoxy)-5-fluoro-
CAS Number:
1157093-09-8
Molecular Formula:
C13H7F3O3
Molecular Weight:
268.1881
IUPAC Name:
2-(3,4-difluorophenoxy)-5-fluoropyridine-3-carboxylic acid
InChI:
InChI=1S/C12H6F3NO3/c13-6-3-8(12(17)18)11(16-5-6)19-7-1-2-9(14)10(15)4-7/h1-5H,(H,17,18)
InChI Key:
RGNGVIOCOJBTCR-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)C(=O)O)Oc1ccc(c(c1)F)F
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.03g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.179g/mol
Monoisotopic Mass:
269.03g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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