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89402-45-9 | Propanoic acid, 2-[4-[(5-bromo-3-fluoro-2-pyridinyl)oxy]phenoxy]-
CAS No: 89402-45-9 Catalog No: AG003VXF MDL No:
Product Description
Catalog Number:
AG003VXF
Chemical Name:
Propanoic acid, 2-[4-[(5-bromo-3-fluoro-2-pyridinyl)oxy]phenoxy]-
CAS Number:
89402-45-9
Molecular Formula:
C14H11BrFNO4
Molecular Weight:
356.1438
IUPAC Name:
2-[4-(5-bromo-3-fluoropyridin-2-yl)oxyphenoxy]propanoic acid
InChI:
InChI=1S/C14H11BrFNO4/c1-8(14(18)19)20-10-2-4-11(5-3-10)21-13-12(16)6-9(15)7-17-13/h2-8H,1H3,(H,18,19)
InChI Key:
JADOBTDMEBQAKN-UHFFFAOYSA-N
SMILES:
OC(=O)C(Oc1ccc(cc1)Oc1ncc(cc1F)Br)C
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.986g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
356.147g/mol
Monoisotopic Mass:
354.986g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
68.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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