3-Chloro-5-[(4-methoxybenzyl)oxy]benzonitrile


Chemical Name: 3-Chloro-5-[(4-methoxybenzyl)oxy]benzonitrile
CAS Number: 1213790-87-4
Product Number: AG003J90(AGN-PC-0WA8H9)
Synonyms:
MDL No: MFCD22574994
Molecular Formula: C15H12ClNO2
Molecular Weight: 273.7143

Identification/Properties


Computed Properties
Molecular Weight:
273.71g/mol
XLogP3:
3.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
273.055656g/mol
Monoisotopic Mass:
273.055656g/mol
Topological Polar Surface Area:
42.2Ų
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
319
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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