4-Bromo-2-methyl-5-(1-methylethyl)phenyl 2-fluorobenzoate

CAS Registry Number®

439094-85-6
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CAS Name

4-Bromo-2-methyl-5-(1-methylethyl)phenyl 2-fluorobenzoate

Molecular Formula

C17H16BrFO2

Molecular Mass

351.21

Cite this Page

4-Bromo-2-methyl-5-(1-methylethyl)phenyl 2-fluorobenzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=439094-85-6 (retrieved 2024-09-07) (CAS RN: 439094-85-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C17H16BrFO2/c1-10(2)13-9-16(11(3)8-14(13)18)21-17(20)12-6-4-5-7-15(12)19/h4-10H,1-3H3

InChIKey

InChIKey=SYZDETXIKFIMDE-UHFFFAOYSA-N

SMILES

O(C(=O)C1=C(F)C=CC=C1)C2=CC(C(C)C)=C(Br)C=C2C

Canonical SMILES

O=C(OC1=CC(=C(Br)C=C1C)C(C)C)C=2C=CC=CC2F

Other Names for this Substance

  • Benzoic acid, 2-fluoro-, 4-bromo-2-methyl-5-(1-methylethyl)phenyl ester
  • 4-Bromo-2-methyl-5-(1-methylethyl)phenyl 2-fluorobenzoate