Loading ...
Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »


Product Show structure
In order to add this molecule to a collection you have to create an account.   Sign up for free
  1. InChIKey:
  2. SMILES:
  3. Formula:
  1. Get quote for multiple compounds
  2. Get custom quote

Name File
SDF P-860644580.sdf
SMILES P-860644580.smiles
Standard InChI P-860644580.inchi
InChIKey P-860644580.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability Updated
P-860644580 A2B Chem Predominantly Building Block on demand N/A by synthesis May 24, 2022
Property Value
Components 2
Mass 341.631
logP 3.0399
H-bond acceptors 3
H-bond donors 0
Rotatable bonds 4
PSA 23.55
RO5 violations 0
RO3 violations 3
Refractivity 88.687
Atoms 36
Rings 2
Heavy atoms 20
Hydrogen atoms 16
Heteroatoms 7
N/O atoms 3
Inorganic atoms 0
Halogen atoms 4
Chiral centers 0
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 0
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0