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100633-60-1 | Benzoic acid, 4-ethyl-, 4-fluorophenyl ester
CAS No: 100633-60-1 Catalog No: AG0002IK MDL No:
Product Description
Catalog Number:
AG0002IK
Chemical Name:
Benzoic acid, 4-ethyl-, 4-fluorophenyl ester
CAS Number:
100633-60-1
Molecular Formula:
C15H13FO2
Molecular Weight:
244.2609
IUPAC Name:
(4-fluorophenyl) 4-ethylbenzoate
InChI:
InChI=1S/C15H13FO2/c1-2-11-3-5-12(6-4-11)15(17)18-14-9-7-13(16)8-10-14/h3-10H,2H2,1H3
InChI Key:
ZLSNZOPVYRFOKL-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1)C(=O)Oc1ccc(cc1)F
Properties
Complexity:
264
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:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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