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138831-38-6 | 1,2-Benzenedicarbonitrile, 4-(4-phenoxyphenoxy)-
CAS No: 138831-38-6 Catalog No: AG0019NU MDL No:
Product Description
Catalog Number:
AG0019NU
Chemical Name:
1,2-Benzenedicarbonitrile, 4-(4-phenoxyphenoxy)-
CAS Number:
138831-38-6
Molecular Formula:
C20H12N2O2
Molecular Weight:
312.3215
IUPAC Name:
4-(4-phenoxyphenoxy)benzene-1,2-dicarbonitrile
InChI:
InChI=1S/C20H12N2O2/c21-13-15-6-7-20(12-16(15)14-22)24-19-10-8-18(9-11-19)23-17-4-2-1-3-5-17/h1-12H
InChI Key:
GACAVLJBVAHSML-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1C#N)Oc1ccc(cc1)Oc1ccccc1
Properties
Complexity:
488
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.09g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.328g/mol
Monoisotopic Mass:
312.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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