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159914-21-3 | Benzonitrile, 2,6-diphenoxy-
CAS No: 159914-21-3 Catalog No: AG001RJ5 MDL No:
Product Description
Catalog Number:
AG001RJ5
Chemical Name:
Benzonitrile, 2,6-diphenoxy-
CAS Number:
159914-21-3
Molecular Formula:
C19H13NO2
Molecular Weight:
287.3120
IUPAC Name:
2,6-diphenoxybenzonitrile
InChI:
InChI=1S/C19H13NO2/c20-14-17-18(21-15-8-3-1-4-9-15)12-7-13-19(17)22-16-10-5-2-6-11-16/h1-13H
InChI Key:
WNIXQRKSGAVKHJ-UHFFFAOYSA-N
SMILES:
N#Cc1c(cccc1Oc1ccccc1)Oc1ccccc1
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.095g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.318g/mol
Monoisotopic Mass:
287.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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