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Home > Fluorides > 102331-07-7
102331-07-7 | Benzoic acid, 4-fluoro-, 2,6-dimethylphenyl ester
CAS No: 102331-07-7 Catalog No: AG000781 MDL No:
Product Description
Catalog Number:
AG000781
Chemical Name:
Benzoic acid, 4-fluoro-, 2,6-dimethylphenyl ester
CAS Number:
102331-07-7
Molecular Formula:
C15H13FO2
Molecular Weight:
244.2609
IUPAC Name:
(2,6-dimethylphenyl) 4-fluorobenzoate
InChI:
InChI=1S/C15H13FO2/c1-10-4-3-5-11(2)14(10)18-15(17)12-6-8-13(16)9-7-12/h3-9H,1-2H3
InChI Key:
GVFRZGDOSQPUEP-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)F)Oc1c(C)cccc1C
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.09g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.265g/mol
Monoisotopic Mass:
244.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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