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1000339-71-8 | 3-[(4-Fluoro-4-methylsulfonyl)phenoxy]benzoic acid
CAS No: 1000339-71-8 Catalog No: AG01F2D6 MDL No:
Product Description
Catalog Number:
AG01F2D6
Chemical Name:
3-[(4-Fluoro-4-methylsulfonyl)phenoxy]benzoic acid
CAS Number:
1000339-71-8
Molecular Formula:
C14H11FO5S
Molecular Weight:
310.2975
IUPAC Name:
3-(4-fluoro-2-methylsulfonylphenoxy)benzoic acid
InChI:
InChI=1S/C14H11FO5S/c1-21(18,19)13-8-10(15)5-6-12(13)20-11-4-2-3-9(7-11)14(16)17/h2-8H,1H3,(H,16,17)
InChI Key:
VCLVEORXSHEWDT-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)S(=O)(=O)C)Oc1cccc(c1)C(=O)O
Properties
Complexity:
472
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.031g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
310.295g/mol
Monoisotopic Mass:
310.031g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
89A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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