HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program：[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

(4-Cyano-3,5-difluorophenyl) 4-(1-ethoxyethyl)benzoate

HCID 70264683
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(C)c1ccc(C(=O)Oc2cc(F)c(C#N)c(F)c2)cc1
InChIKey
IWCUFXSSBJWRAL-UHFFFAOYSA-N
Molecular formula
C18H15F2NO3
Average molar mass
331.3 g/mol
Monoisotopic mass
331.10199966

Names & identifiers

Preferred name
(4-Cyano-3,5-difluorophenyl) 4-(1-ethoxyethyl)benzoate
IUPAC
(4-cyano-3,5-difluorophenyl) 4-(1-ethoxyethyl)benzoate

Names & synonyms

SCHEMBL8052017

Database identifiers

PubChem CID
70264683

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
59.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
24
Formal charge
0
Complexity
458

Related reactions

1 records
New reaction record
HRID 114354 reaction equation
HRID 114354As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes