4'-Cyano-3'-fluorophenyl-4-butylbenzoate

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Catalog Number

ACM86776525

Product Name

Structure

CAS

86776-52-5

Category

Heterocyclic Organic Compound

Synonyms

4-Cyano-3-fluorophenyl 4-butylbenzoate

IUPAC Name

(4-cyano-3-fluorophenyl) 4-butylbenzoate

Molecular Weight

297.3g/mol

Molecular Formula

C18H16FNO2

Canonical SMILES

CCCCC1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)C#N)F

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

Complexity

409

Covalently-Bonded Unit Count

EC Number

617-918-8

Exact Mass

297.116507g/mol

Formal Charge

H-Bond Acceptor

H-Bond Donor

Heavy Atom Count

Monoisotopic Mass

297.116507g/mol

Rotatable Bond Count

XLogP3

MSDS

COA

Spec Sheet

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