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206995-45-1 | 1,2-BENZENEDICARBONITRILE, 4,5-BIS(PHENYLMETHOXY)-
CAS No: 206995-45-1 Catalog No: AG002IS5 MDL No:
Product Description
Catalog Number:
AG002IS5
Chemical Name:
1,2-BENZENEDICARBONITRILE, 4,5-BIS(PHENYLMETHOXY)-
CAS Number:
206995-45-1
Molecular Formula:
C22H16N2O2
Molecular Weight:
340.3746
IUPAC Name:
4,5-bis(phenylmethoxy)benzene-1,2-dicarbonitrile
InChI:
InChI=1S/C22H16N2O2/c23-13-19-11-21(25-15-17-7-3-1-4-8-17)22(12-20(19)14-24)26-16-18-9-5-2-6-10-18/h1-12H,15-16H2
InChI Key:
GKXPEJISVXRJBA-UHFFFAOYSA-N
SMILES:
N#Cc1cc(OCc2ccccc2)c(cc1C#N)OCc1ccccc1
Properties
Complexity:
471
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.121g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.382g/mol
Monoisotopic Mass:
340.121g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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