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86776-52-5 | 4-Cyano-3-fluorophenyl 4-butylbenzoate
CAS No: 86776-52-5 Catalog No: AG004JII MDL No:MFCD11053362
Product Description
Catalog Number:
AG004JII
Chemical Name:
4-Cyano-3-fluorophenyl 4-butylbenzoate
CAS Number:
86776-52-5
Molecular Formula:
C18H16FNO2
Molecular Weight:
297.3235
MDL Number:
MFCD11053362
IUPAC Name:
(4-cyano-3-fluorophenyl) 4-butylbenzoate
InChI:
InChI=1S/C18H16FNO2/c1-2-3-4-13-5-7-14(8-6-13)18(21)22-16-10-9-15(12-20)17(19)11-16/h5-11H,2-4H2,1H3
InChI Key:
IBUUMDHMTARCSQ-UHFFFAOYSA-N
SMILES:
CCCCc1ccc(cc1)C(=O)Oc1ccc(c(c1)F)C#N
EC Number:
617-918-8
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.117g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.329g/mol
Monoisotopic Mass:
297.117g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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