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Home > Fluorides > 146781-29-5
146781-29-5 | Benzoic acid, 4-(ethoxymethyl)-, 4-cyano-3-fluorophenyl ester
CAS No: 146781-29-5 Catalog No: AG001EBS MDL No:
Product Description
Catalog Number:
AG001EBS
Chemical Name:
Benzoic acid, 4-(ethoxymethyl)-, 4-cyano-3-fluorophenyl ester
CAS Number:
146781-29-5
Molecular Formula:
C17H14FNO3
Molecular Weight:
299.2964
IUPAC Name:
(4-cyano-3-fluorophenyl) 4-(ethoxymethyl)benzoate
InChI:
InChI=1S/C17H14FNO3/c1-2-21-11-12-3-5-13(6-4-12)17(20)22-15-8-7-14(10-19)16(18)9-15/h3-9H,2,11H2,1H3
InChI Key:
UFCWFPUWPVRVCR-UHFFFAOYSA-N
SMILES:
CCOCc1ccc(cc1)C(=O)Oc1ccc(c(c1)F)C#N
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.096g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.301g/mol
Monoisotopic Mass:
299.096g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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